##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_systematic
;\
(S)-(+)-1-(4-Bromophenyl)-N-[(4-methoxyphenyl)methylidene]\
ethylamine
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H16 Br N O'
_chemical_formula_sum     'C16 H16 Br N O'
_chemical_formula_iupac     'C16 H16 Br N O'
_chemical_formula_weight     318.21
_chemical_melting_point     ?
_chemical_absolute_configuration     rmad
_space_group_crystal_system     orthorhombic
_space_group_name_H-M_alt     'P 21 21 21'
_space_group_name_Hall     'P 2ac 2ab'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
_cell_length_a     5.6599(11)
_cell_length_b     7.9243(10)
_cell_length_c     34.353(5)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     1540.8(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2110
_cell_measurement_theta_min     3.5210
_cell_measurement_theta_max     19.8710
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     'clear colourless'
_exptl_crystal_size_max     0.4
_exptl_crystal_size_mid     0.252
_exptl_crystal_size_min     0.083
_exptl_crystal_density_diffrn     1.372
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     648
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    -7 0 -20 0.1170
    0 11 -7 0.1065
    2 -10 13 0.0891
    7 1 19 0.1965
    0 4 45 0.0667
    1 -4 -45 0.0627
    -4 0 41 0.1116
    4 0 -41 0.1116
    0 -1 48 0.0415
    0 1 -48 0.0415
    0 9 -30 0.0819
_exptl_absorpt_coefficient_mu     2.660
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_absorpt_correction_T_min     0.840
_exptl_absorpt_correction_T_max     0.953
_diffrn_ambient_temperature     293(2)
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Rigaku Xcalibur Atlas Gemini'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     5.2782
_diffrn_reflns_number     9633
_diffrn_reflns_av_R_equivalents     0.0496
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_theta_min     3.126
_diffrn_reflns_theta_max     25.543
_diffrn_reflns_theta_full     25.543
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -6
_diffrn_reflns_limit_h_max     6
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -41
_diffrn_reflns_limit_l_max     41
_refine_special_details
;
X-ray diffraction was recorded by Rigaku Oxford diffractometer with
graphite-monochromated Mo Kα radiation (0.71073 Å). CrysAlis
PRO software (Agilent, 2014) was employed for data reduction. The
structures were solved through intrinsic phasing and direct methods, employing
SHELXS (Sheldrick, 2008) and SHELXT (Sheldrick, 2015a).
Non-H atoms were refined anisotropically, while H atoms were geometrically
placed and refined with isotropic displacement parameters using the riding
model in the SHELXL2019 program (Sheldrick, 2015b). Molecular
graphics: OLEX2 (Dolomanov et al., 2009).
The CIF file containing complete information on the studied structure has been
deposited with CCDC under deposition numbers 2293931 and 2293932, and is
freely available upon request via the following
website: www.ccdc.cam.ac.uk/data_request/cif.
;
_reflns_number_total     2852
_reflns_number_gt     1534
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1136
_refine_ls_R_factor_gt     0.0508
_refine_ls_wR_factor_gt     0.0945
_refine_ls_wR_factor_ref     0.1160
_refine_ls_goodness_of_fit_ref     1.046
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     2852
_refine_ls_number_parameters     175
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0386P)²+0.0945P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.210
_refine_diff_density_min     -0.210
_refine_ls_extinction_method
;
SHELXL2019 (Sheldrick, 2015a)
;
_refine_ls_extinction_coef     0.0040(14)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
;
Flack x determined using 403 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack     -0.026(9)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008) and SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2019 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.2389(2) 1.09813(9) 0.52206(2) 0.1427(6) Uani d 1 . .
    O O1 0.3517(9) 0.4597(6) 0.82998(17) 0.0963(15) Uani d 1 . .
    N N1 0.0282(11) 0.4666(6) 0.65137(19) 0.0844(16) Uani d 1 . .
    C C1 0.0099(12) 0.4345(8) 0.6097(2) 0.084(2) Uani d 1 . .
    H H1 0.126103 0.348253 0.602570 0.101 Uiso calc 1 . .
    C C2 -0.2363(13) 0.3682(8) 0.6005(2) 0.110(2) Uani d 1 . .
    H H2A -0.275397 0.278804 0.618246 0.165 Uiso calc 1 . .
    H H2B -0.239708 0.326065 0.574324 0.165 Uiso calc 1 . .
    H H2C -0.349134 0.457944 0.603169 0.165 Uiso calc 1 . .
    C C3 0.0642(11) 0.5963(8) 0.5870(2) 0.0720(17) Uani d 1 . .
    C C4 0.2300(13) 0.6028(7) 0.55835(18) 0.0832(17) Uani d 1 . .
    H H4 0.309999 0.504562 0.551551 0.100 Uiso calc 1 . .
    C C5 0.2826(15) 0.7505(9) 0.53913(19) 0.0932(19) Uani d 1 . .
    H H5 0.398557 0.751716 0.519944 0.112 Uiso calc 1 . .
    C C6 0.1649(13) 0.8944(7) 0.5483(2) 0.084(2) Uani d 1 . .
    C C7 -0.0019(15) 0.8945(10) 0.5770(3) 0.112(3) Uani d 1 . .
    H H7 -0.084855 0.992153 0.583272 0.135 Uiso calc 1 . .
    C C8 -0.0434(15) 0.7452(9) 0.5965(2) 0.113(3) Uani d 1 . .
    H H8 -0.149839 0.745846 0.617120 0.136 Uiso calc 1 . .
    C C9 0.1914(11) 0.3938(7) 0.6701(2) 0.0779(18) Uani d 1 . .
    H H9 0.292991 0.323549 0.656296 0.093 Uiso calc 1 . .
    C C10 0.2308(11) 0.4124(6) 0.71138(19) 0.0671(15) Uani d 1 . .
    C C11 0.4256(12) 0.3396(8) 0.7274(3) 0.083(2) Uani d 1 . .
    H H11 0.529551 0.280840 0.711440 0.100 Uiso calc 1 . .
    C C12 0.4736(12) 0.3504(8) 0.7669(3) 0.083(2) Uani d 1 . .
    H H12 0.607953 0.299154 0.777088 0.099 Uiso calc 1 . .
    C C13 0.3233(12) 0.4364(8) 0.7909(2) 0.0732(17) Uani d 1 . .
    C C14 0.1213(12) 0.5094(8) 0.7750(2) 0.080(2) Uani d 1 . .
    H H14 0.015617 0.565927 0.791160 0.096 Uiso calc 1 . .
    C C15 0.0768(11) 0.4989(7) 0.7360(2) 0.0722(19) Uani d 1 . .
    H H15 -0.057410 0.549886 0.725702 0.087 Uiso calc 1 . .
    C C16 0.5553(14) 0.3902(13) 0.8476(3) 0.137(3) Uani d 1 . .
    H H16A 0.549264 0.409011 0.875188 0.206 Uiso calc 1 . .
    H H16B 0.693720 0.443191 0.837058 0.206 Uiso calc 1 . .
    H H16C 0.561135 0.271122 0.842523 0.206 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br1 C6 . 1.895(6) ?
    O1 C13 . 1.363(8) ?
    O1 C16 . 1.413(8) ?
    N1 C1 . 1.456(8) ?
    N1 C9 . 1.265(7) ?
    C1 H1 . 0.9800 ?
    C1 C2 . 1.523(9) ?
    C1 C3 . 1.532(9) ?
    C2 H2A . 0.9600 ?
    C2 H2B . 0.9600 ?
    C2 H2C . 0.9600 ?
    C3 C4 . 1.362(8) ?
    C3 C8 . 1.367(8) ?
    C4 H4 . 0.9300 ?
    C4 C5 . 1.377(8) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.357(9) ?
    C6 C7 . 1.367(9) ?
    C7 H7 . 0.9300 ?
    C7 C8 . 1.379(10) ?
    C8 H8 . 0.9300 ?
    C9 H9 . 0.9300 ?
    C9 C10 . 1.444(8) ?
    C10 C11 . 1.361(9) ?
    C10 C15 . 1.393(8) ?
    C11 H11 . 0.9300 ?
    C11 C12 . 1.387(9) ?
    C12 H12 . 0.9300 ?
    C12 C13 . 1.367(9) ?
    C13 C14 . 1.393(8) ?
    C14 H14 . 0.9300 ?
    C14 C15 . 1.369(8) ?
    C15 H15 . 0.9300 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C13 O1 C16 . . 117.7(6) ?
    C9 N1 C1 . . 118.1(6) ?
    N1 C1 H1 . . 108.7 ?
    N1 C1 C2 . . 109.2(6) ?
    N1 C1 C3 . . 109.9(5) ?
    C2 C1 H1 . . 108.7 ?
    C2 C1 C3 . . 111.5(6) ?
    C3 C1 H1 . . 108.7 ?
    C1 C2 H2A . . 109.5 ?
    C1 C2 H2B . . 109.5 ?
    C1 C2 H2C . . 109.5 ?
    H2A C2 H2B . . 109.5 ?
    H2A C2 H2C . . 109.5 ?
    H2B C2 H2C . . 109.5 ?
    C4 C3 C1 . . 122.5(6) ?
    C4 C3 C8 . . 116.5(6) ?
    C8 C3 C1 . . 120.8(6) ?
    C3 C4 H4 . . 119.1 ?
    C3 C4 C5 . . 121.9(6) ?
    C5 C4 H4 . . 119.1 ?
    C4 C5 H5 . . 120.1 ?
    C6 C5 C4 . . 119.8(7) ?
    C6 C5 H5 . . 120.1 ?
    C5 C6 Br1 . . 119.8(6) ?
    C5 C6 C7 . . 120.5(6) ?
    C7 C6 Br1 . . 119.7(6) ?
    C6 C7 H7 . . 121.1 ?
    C6 C7 C8 . . 117.9(7) ?
    C8 C7 H7 . . 121.1 ?
    C3 C8 C7 . . 123.3(7) ?
    C3 C8 H8 . . 118.3 ?
    C7 C8 H8 . . 118.3 ?
    N1 C9 H9 . . 117.8 ?
    N1 C9 C10 . . 124.5(6) ?
    C10 C9 H9 . . 117.8 ?
    C11 C10 C9 . . 118.7(6) ?
    C11 C10 C15 . . 118.0(7) ?
    C15 C10 C9 . . 123.3(6) ?
    C10 C11 H11 . . 119.0 ?
    C10 C11 C12 . . 121.9(6) ?
    C12 C11 H11 . . 119.0 ?
    C11 C12 H12 . . 120.0 ?
    C13 C12 C11 . . 120.0(7) ?
    C13 C12 H12 . . 120.0 ?
    O1 C13 C12 . . 126.0(7) ?
    O1 C13 C14 . . 115.2(7) ?
    C12 C13 C14 . . 118.8(8) ?
    C13 C14 H14 . . 119.7 ?
    C15 C14 C13 . . 120.7(7) ?
    C15 C14 H14 . . 119.7 ?
    C10 C15 H15 . . 119.7 ?
    C14 C15 C10 . . 120.6(6) ?
    C14 C15 H15 . . 119.7 ?
    O1 C16 H16A . . 109.5 ?
    O1 C16 H16B . . 109.5 ?
    O1 C16 H16C . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Br1 C6 C7 C8 . . . . -177.3(6) ?
    O1 C13 C14 C15 . . . . 178.1(6) ?
    N1 C1 C3 C4 . . . . 126.6(7) ?
    N1 C1 C3 C8 . . . . -49.3(9) ?
    N1 C9 C10 C11 . . . . -174.0(6) ?
    N1 C9 C10 C15 . . . . 7.2(9) ?
    C1 N1 C9 C10 . . . . -179.6(6) ?
    C1 C3 C4 C5 . . . . -177.7(7) ?
    C1 C3 C8 C7 . . . . -179.8(8) ?
    C2 C1 C3 C4 . . . . -112.2(7) ?
    C2 C1 C3 C8 . . . . 72.0(9) ?
    C3 C4 C5 C6 . . . . -1.1(11) ?
    C4 C3 C8 C7 . . . . 4.1(12) ?
    C4 C5 C6 Br1 . . . . 179.6(5) ?
    C4 C5 C6 C7 . . . . 1.5(11) ?
    C5 C6 C7 C8 . . . . 0.8(12) ?
    C6 C7 C8 C3 . . . . -3.7(13) ?
    C8 C3 C4 C5 . . . . -1.6(10) ?
    C9 N1 C1 C2 . . . . 123.7(6) ?
    C9 N1 C1 C3 . . . . -113.7(6) ?
    C9 C10 C11 C12 . . . . -179.2(6) ?
    C9 C10 C15 C14 . . . . 178.7(5) ?
    C10 C11 C12 C13 . . . . -0.1(10) ?
    C11 C10 C15 C14 . . . . -0.1(8) ?
    C11 C12 C13 O1 . . . . -178.6(6) ?
    C11 C12 C13 C14 . . . . 1.1(9) ?
    C12 C13 C14 C15 . . . . -1.6(8) ?
    C13 C14 C15 C10 . . . . 1.1(9) ?
    C15 C10 C11 C12 . . . . -0.4(9) ?
    C16 O1 C13 C12 . . . . 0.5(9) ?
    C16 O1 C13 C14 . . . . -179.2(6) ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
data_II
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_systematic
;\
Dichloridobis{(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)\
methylidene]ethylamine-κN}palladium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C32 H32 Br2 Cl2 N2 O2 Pd'
_chemical_formula_sum     'C32 H32 Br2 Cl2 N2 O2 Pd'
_chemical_formula_iupac     '[Pd Cl2 (C16 H16 Br1 N1 O1)2]'
_chemical_formula_weight     813.71
_chemical_melting_point     ?
_chemical_absolute_configuration     rmad
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21 1'
_space_group_name_Hall     'P 2yb'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     9.0493(4)
_cell_length_b     25.1365(8)
_cell_length_c     14.1725(7)
_cell_angle_alpha     90
_cell_angle_beta     90.185(4)
_cell_angle_gamma     90
_cell_volume     3223.8(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5092
_cell_measurement_theta_min     1.6380
_cell_measurement_theta_max     25.8760
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'clear orange'
_exptl_crystal_size_max     0.584
_exptl_crystal_size_mid     0.139
_exptl_crystal_size_min     0.109
_exptl_crystal_density_diffrn     1.677
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1616
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    11 -4 10 0.2027
    -1 4 20 0.0820
    0 -4 -20 0.0542
    0 -35 2 0.0601
    1 -8 19 0.0768
    0 35 4 0.0399
    0 29 -12 0.0537
    -11 4 -11 0.2258
    -9 -19 -9 0.2044
    2 -31 -9 0.0644
_exptl_absorpt_coefficient_mu     3.252
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_absorpt_correction_T_min     0.406
_exptl_absorpt_correction_T_max     0.755
_diffrn_ambient_temperature     293(2)
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Rigaku Xcalibur Atlas Gemini'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     10.5564
_diffrn_reflns_number     21980
_diffrn_reflns_av_R_equivalents     0.0467
_diffrn_reflns_av_unetI/netI     0.0764
_diffrn_reflns_theta_min     1.620
_diffrn_reflns_theta_max     26.367
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.991
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -31
_diffrn_reflns_limit_k_max     31
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_refine_special_details     ?
_reflns_number_total     12072
_reflns_number_gt     8864
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0753
_refine_ls_R_factor_gt     0.0466
_refine_ls_wR_factor_gt     0.0937
_refine_ls_wR_factor_ref     0.1074
_refine_ls_goodness_of_fit_ref     1.019
_refine_ls_restrained_S_all     1.020
_refine_ls_number_reflns     12072
_refine_ls_number_parameters     767
_refine_ls_number_restraints     41
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0407P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.778
_refine_diff_density_min     -0.641
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
_refine_ls_abs_structure_details
;
Flack x determined using 2945 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack     0.005(7)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Pd' 'Pd' -0.9988 1.0072
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2019 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Pd Pd1 0.21529(6) 0.74835(4) 0.54298(4) 0.04229(16) Uani d 1 . .
    Br Br1 0.09895(17) 0.47281(6) 0.41034(13) 0.1115(5) Uani d 1 . .
    Br Br2 0.19435(18) 0.97812(7) 0.95910(13) 0.1193(6) Uani d 1 . .
    Cl Cl1 0.4129(2) 0.79352(12) 0.60901(19) 0.0622(7) Uani d 1 . .
    Cl Cl2 0.0102(3) 0.70667(11) 0.48069(19) 0.0629(7) Uani d 1 . .
    O O1 -0.0318(10) 0.9452(3) 0.2847(6) 0.093(3) Uani d 1 . .
    O O2 0.4183(10) 0.5627(3) 0.8521(6) 0.094(3) Uani d 1 . .
    N N1 0.3261(7) 0.7338(3) 0.4206(5) 0.0471(19) Uani d 1 . .
    N N2 0.0996(7) 0.7663(3) 0.6598(5) 0.0427(17) Uani d 1 . .
    C C1 0.4276(9) 0.6881(4) 0.4111(6) 0.050(2) Uani d 1 . .
    H H1 0.470334 0.690204 0.347706 0.060 Uiso calc 1 . .
    C C2 0.5557(10) 0.6938(5) 0.4812(8) 0.068(3) Uani d 1 . .
    H H2A 0.606080 0.726801 0.470159 0.103 Uiso calc 1 . .
    H H2B 0.623367 0.664767 0.473054 0.103 Uiso calc 1 . .
    H H2C 0.517813 0.693354 0.544407 0.103 Uiso calc 1 . .
    C C3 0.3457(11) 0.6355(4) 0.4169(7) 0.054(2) Uani d 1 . .
    C C4 0.3561(12) 0.6007(4) 0.4896(8) 0.063(3) Uani d 1 . .
    H H4 0.415864 0.609578 0.540705 0.075 Uiso calc 1 . .
    C C5 0.2824(13) 0.5528(5) 0.4914(9) 0.073(3) Uani d 1 . .
    H H5 0.289488 0.530240 0.543269 0.088 Uiso calc 1 . .
    C C6 0.1984(12) 0.5394(5) 0.4147(9) 0.072(3) Uani d 1 . .
    C C7 0.1832(14) 0.5725(5) 0.3393(9) 0.081(4) Uani d 1 . .
    H H7 0.124321 0.563028 0.288140 0.098 Uiso calc 1 . .
    C C8 0.2588(13) 0.6214(5) 0.3407(8) 0.072(3) Uani d 1 . .
    H H8 0.250107 0.644461 0.289687 0.087 Uiso calc 1 . .
    C C9 0.2962(10) 0.7597(4) 0.3434(7) 0.059(3) Uani d 1 . .
    H H9 0.335659 0.745504 0.288318 0.070 Uiso calc 1 . .
    C C10 0.2097(11) 0.8076(4) 0.3320(7) 0.051(2) Uani d 1 . .
    C C11 0.1418(11) 0.8157(4) 0.2428(7) 0.059(3) Uani d 1 . .
    H H11 0.152394 0.790139 0.195824 0.071 Uiso calc 1 . .
    C C12 0.0614(12) 0.8605(5) 0.2249(8) 0.071(3) Uani d 1 . .
    H H12 0.016891 0.865327 0.166251 0.085 Uiso calc 1 . .
    C C13 0.0465(12) 0.8986(5) 0.2946(9) 0.069(3) Uani d 1 . .
    C C14 0.1144(13) 0.8916(5) 0.3833(8) 0.071(3) Uani d 1 . .
    H H14 0.104445 0.917200 0.430218 0.086 Uiso calc 1 . .
    C C15 0.1945(11) 0.8469(4) 0.3988(7) 0.054(2) Uani d 1 . .
    H H15 0.241141 0.842639 0.456846 0.065 Uiso calc 1 . .
    C C16 -0.1024(16) 0.9544(6) 0.1980(11) 0.110(5) Uani d 1 . .
    H H16A -0.030042 0.955783 0.148680 0.165 Uiso calc 1 . .
    H H16B -0.154563 0.987657 0.200558 0.165 Uiso calc 1 . .
    H H16C -0.171069 0.926165 0.185370 0.165 Uiso calc 1 . .
    C C17 0.0079(10) 0.8169(4) 0.6530(7) 0.058(3) Uani d 1 . .
    H H17 0.034250 0.833641 0.592965 0.070 Uiso calc 1 . .
    C C18 -0.1537(10) 0.8028(5) 0.6457(8) 0.074(3) Uani d 1 . .
    H H18A -0.169043 0.779769 0.592623 0.110 Uiso calc 1 . .
    H H18B -0.210696 0.834724 0.637570 0.110 Uiso calc 1 . .
    H H18C -0.184220 0.785068 0.702379 0.110 Uiso calc 1 . .
    C C19 0.0469(10) 0.8564(4) 0.7287(7) 0.049(2) Uani d 1 . .
    C C20 0.1672(12) 0.8902(4) 0.7152(9) 0.069(3) Uani d 1 . .
    H H20 0.220125 0.887756 0.659225 0.083 Uiso calc 1 . .
    C C21 0.2101(12) 0.9268(5) 0.7808(11) 0.081(4) Uani d 1 . .
    H H21 0.288662 0.949786 0.769438 0.097 Uiso calc 1 . .
    C C22 0.1322(12) 0.9286(4) 0.8657(10) 0.070(3) Uani d 1 . .
    C C23 0.0178(12) 0.8958(4) 0.8815(8) 0.063(3) Uani d 1 . .
    H H23 -0.032726 0.897471 0.938525 0.076 Uiso calc 1 . .
    C C24 -0.0250(10) 0.8598(4) 0.8136(7) 0.053(2) Uani d 1 . .
    H H24 -0.104233 0.837216 0.825549 0.064 Uiso calc 1 . .
    C C25 0.1001(9) 0.7427(4) 0.7395(7) 0.053(2) Uani d 1 . .
    H H25 0.044226 0.758511 0.786852 0.064 Uiso calc 1 . .
    C C26 0.1787(10) 0.6935(4) 0.7656(7) 0.049(2) Uani d 1 . .
    C C27 0.2082(14) 0.6864(4) 0.8601(7) 0.070(3) Uani d 1 . .
    H H27 0.174250 0.711656 0.902884 0.084 Uiso calc 1 . .
    C C28 0.2851(15) 0.6439(4) 0.8932(8) 0.080(4) Uani d 1 . .
    H H28 0.304717 0.640378 0.957325 0.096 Uiso calc 1 . .
    C C29 0.3335(14) 0.6059(4) 0.8303(9) 0.071(3) Uani d 1 . .
    C C30 0.2992(12) 0.6120(4) 0.7360(8) 0.067(3) Uani d 1 . .
    H H30 0.328008 0.585832 0.693520 0.081 Uiso calc 1 . .
    C C31 0.2246(12) 0.6551(4) 0.7034(7) 0.063(3) Uani d 1 . .
    H H31 0.204690 0.658603 0.639247 0.075 Uiso calc 1 . .
    C C32 0.5031(17) 0.5654(6) 0.9352(11) 0.119(6) Uani d 1 . .
    H H32A 0.572788 0.594058 0.930347 0.178 Uiso calc 1 . .
    H H32B 0.555243 0.532487 0.943898 0.178 Uiso calc 1 . .
    H H32C 0.439284 0.571471 0.988073 0.178 Uiso calc 1 . .
    Pd Pd2 0.36904(7) 0.24913(4) 0.94152(4) 0.04789(17) Uani d 1 . .
    C C38 0.3235(14) 0.0471(4) 0.6439(9) 0.070(3) Uani d 1 . .
    Br Br3 0.364(2) -0.0085(7) 0.5546(13) 0.094(3) Uani d 0.65(7) A 1
    Br Br3A 0.399(4) -0.0128(10) 0.581(3) 0.091(5) Uani d 0.35(7) A 2
    C C54 0.3172(16) 0.4618(6) 1.0946(14) 0.099(4) Uani d 1 . .
    Br Br4 0.2073(11) 0.5275(4) 1.0914(13) 0.134(2) Uani d 0.69(5) B 1
    Br Br4A 0.203(2) 0.5183(11) 1.130(3) 0.132(6) Uani d 0.31(5) B 2
    Cl Cl3 0.1586(3) 0.29551(13) 0.9790(2) 0.0800(9) Uani d 1 . .
    Cl Cl4 0.5751(3) 0.20070(11) 0.89587(18) 0.0588(6) Uani d 1 . .
    O O3 0.4512(10) 0.4464(3) 0.6263(7) 0.093(3) Uani d 1 . .
    O O4 0.0781(9) 0.0768(4) 1.2618(6) 0.086(2) Uani d 1 . .
    N N3 0.2690(8) 0.2233(3) 0.8213(5) 0.0495(19) Uani d 1 . .
    N N4 0.4625(8) 0.2695(3) 1.0676(6) 0.058(2) Uani d 1 . .
    C C33 0.1983(11) 0.1700(4) 0.8354(7) 0.054(2) Uani d 1 . .
    H H33 0.234599 0.157492 0.896734 0.065 Uiso calc 1 . .
    C C34 0.0316(13) 0.1763(5) 0.8474(9) 0.090(4) Uani d 1 . .
    H H34A 0.012194 0.202178 0.895683 0.134 Uiso calc 1 . .
    H H34B -0.010751 0.142790 0.865200 0.134 Uiso calc 1 . .
    H H34C -0.011382 0.187987 0.788979 0.134 Uiso calc 1 . .
    C C35 0.2435(12) 0.1276(4) 0.7657(8) 0.057(3) Uani d 1 . .
    C C36 0.3656(14) 0.0969(5) 0.7829(9) 0.077(4) Uani d 1 . .
    H H36 0.423600 0.103915 0.835754 0.093 Uiso calc 1 . .
    C C37 0.4041(13) 0.0560(5) 0.7240(11) 0.083(4) Uani d 1 . .
    H H37 0.484591 0.034502 0.738515 0.100 Uiso calc 1 . .
    C C39 0.2048(14) 0.0783(5) 0.6222(8) 0.072(3) Uani d 1 . .
    H H39 0.150985 0.072329 0.567200 0.086 Uiso calc 1 . .
    C C40 0.1650(12) 0.1194(4) 0.6836(7) 0.059(3) Uani d 1 . .
    H H40 0.085305 0.141248 0.668938 0.071 Uiso calc 1 . .
    C C41 0.2517(9) 0.2467(5) 0.7425(6) 0.050(2) Uani d 1 . .
    H H41 0.196859 0.228664 0.696975 0.060 Uiso calc 1 . .
    C C42 0.3082(10) 0.2979(4) 0.7165(7) 0.051(2) Uani d 1 . .
    C C43 0.2573(14) 0.3213(5) 0.6329(8) 0.075(3) Uani d 1 . .
    H H43 0.188026 0.303556 0.595889 0.090 Uiso calc 1 . .
    C C44 0.3088(16) 0.3701(5) 0.6051(9) 0.090(4) Uani d 1 . .
    H H44 0.272499 0.385059 0.549715 0.109 Uiso calc 1 . .
    C C45 0.4136(13) 0.3978(4) 0.6574(9) 0.069(3) Uani d 1 . .
    C C46 0.4674(14) 0.3742(5) 0.7344(9) 0.073(3) Uani d 1 . .
    H H46 0.540281 0.391532 0.769118 0.088 Uiso calc 1 . .
    C C47 0.4187(12) 0.3247(4) 0.7647(7) 0.062(3) Uani d 1 . .
    H H47 0.460799 0.309421 0.818160 0.074 Uiso calc 1 . .
    C C48 0.5476(16) 0.4773(5) 0.6831(11) 0.108(5) Uani d 1 . .
    H H48A 0.567372 0.510527 0.652120 0.161 Uiso calc 1 . .
    H H48B 0.638560 0.458402 0.692543 0.161 Uiso calc 1 . .
    H H48C 0.502028 0.484005 0.742990 0.161 Uiso calc 1 . .
    C C49 0.5645(12) 0.3178(5) 1.0708(7) 0.068(3) Uani d 1 . .
    H H49 0.619881 0.314689 1.130119 0.082 Uiso calc 1 . .
    C C50 0.6791(12) 0.3173(5) 0.9939(9) 0.077(3) Uani d 1 . .
    H H50A 0.732134 0.284266 0.995645 0.116 Uiso calc 1 . .
    H H50B 0.746732 0.346263 1.003245 0.116 Uiso calc 1 . .
    H H50C 0.631238 0.321110 0.933674 0.116 Uiso calc 1 . .
    C C51 0.4751(13) 0.3688(5) 1.0794(9) 0.071(3) Uani d 1 . .
    C C52 0.4375(15) 0.3966(5) 0.9995(9) 0.081(4) Uani d 1 . .
    H H52 0.467196 0.384442 0.940517 0.097 Uiso calc 1 . .
    C C53 0.3548(15) 0.4430(5) 1.0071(11) 0.098(4) Uani d 1 . .
    H H53 0.325218 0.461207 0.953137 0.118 Uiso calc 1 . .
    C C55 0.3551(14) 0.4339(6) 1.1724(11) 0.092(4) Uani d 1 . .
    H H55 0.327605 0.446187 1.231727 0.111 Uiso calc 1 . .
    C C56 0.4335(13) 0.3877(6) 1.1645(9) 0.080(4) Uani d 1 . .
    H H56 0.458719 0.368964 1.218778 0.096 Uiso calc 1 . .
    C C57 0.4383(10) 0.2452(5) 1.1466(7) 0.062(2) Uani d 1 . .
    H H57 0.492908 0.258046 1.197414 0.074 Uiso calc 1 . .
    C C58 0.3422(11) 0.2022(4) 1.1687(7) 0.057(3) Uani d 1 . .
    C C59 0.3483(14) 0.1851(5) 1.2587(8) 0.079(3) Uani d 1 . .
    H H59 0.415497 0.201436 1.299165 0.094 Uiso calc 1 . .
    C C60 0.2608(14) 0.1445(5) 1.2953(8) 0.079(4) Uani d 1 . .
    H H60 0.264955 0.135815 1.359010 0.095 Uiso calc 1 . .
    C C61 0.1697(12) 0.1182(5) 1.2361(9) 0.067(3) Uani d 1 . .
    C C62 0.1586(14) 0.1357(6) 1.1431(9) 0.090(4) Uani d 1 . .
    H H62 0.092217 0.119069 1.102435 0.108 Uiso calc 1 . .
    C C63 0.2427(13) 0.1765(5) 1.1105(8) 0.082(4) Uani d 1 . .
    H H63 0.233130 0.187232 1.047992 0.098 Uiso calc 1 . .
    C C64 0.0669(15) 0.0636(5) 1.3598(9) 0.093(4) Uani d 1 . .
    H H64A -0.004106 0.035613 1.367701 0.139 Uiso calc 1 . .
    H H64B 0.035858 0.094382 1.394607 0.139 Uiso calc 1 . .
    H H64C 0.161470 0.051983 1.382718 0.139 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Pd1 Cl1 . 2.313(2) ?
    Pd1 Cl2 . 2.305(2) ?
    Pd1 N1 . 2.040(7) ?
    Pd1 N2 . 2.013(7) ?
    Br1 C6 . 1.902(12) ?
    Br2 C22 . 1.900(11) ?
    O1 C13 . 1.376(13) ?
    O1 C16 . 1.403(14) ?
    O2 C29 . 1.365(13) ?
    O2 C32 . 1.405(14) ?
    N1 C1 . 1.477(11) ?
    N1 C9 . 1.301(11) ?
    N2 C17 . 1.521(11) ?
    N2 C25 . 1.276(11) ?
    C1 H1 . 0.9800 ?
    C1 C2 . 1.531(12) ?
    C1 C3 . 1.519(13) ?
    C2 H2A . 0.9600 ?
    C2 H2B . 0.9600 ?
    C2 H2C . 0.9600 ?
    C3 C4 . 1.355(14) ?
    C3 C8 . 1.380(14) ?
    C4 H4 . 0.9300 ?
    C4 C5 . 1.377(15) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.367(16) ?
    C6 C7 . 1.360(16) ?
    C7 H7 . 0.9300 ?
    C7 C8 . 1.406(16) ?
    C8 H8 . 0.9300 ?
    C9 H9 . 0.9300 ?
    C9 C10 . 1.445(13) ?
    C10 C11 . 1.419(13) ?
    C10 C15 . 1.376(13) ?
    C11 H11 . 0.9300 ?
    C11 C12 . 1.364(14) ?
    C12 H12 . 0.9300 ?
    C12 C13 . 1.383(16) ?
    C13 C14 . 1.408(15) ?
    C14 H14 . 0.9300 ?
    C14 C15 . 1.355(14) ?
    C15 H15 . 0.9300 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17 H17 . 0.9800 ?
    C17 C18 . 1.508(13) ?
    C17 C19 . 1.502(14) ?
    C18 H18A . 0.9600 ?
    C18 H18B . 0.9600 ?
    C18 H18C . 0.9600 ?
    C19 C20 . 1.396(14) ?
    C19 C24 . 1.372(13) ?
    C20 H20 . 0.9300 ?
    C20 C21 . 1.363(17) ?
    C21 H21 . 0.9300 ?
    C21 C22 . 1.398(17) ?
    C22 C23 . 1.343(15) ?
    C23 H23 . 0.9300 ?
    C23 C24 . 1.377(14) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 0.9300 ?
    C25 C26 . 1.473(13) ?
    C26 C27 . 1.376(13) ?
    C26 C31 . 1.374(13) ?
    C27 H27 . 0.9300 ?
    C27 C28 . 1.359(15) ?
    C28 H28 . 0.9300 ?
    C28 C29 . 1.378(16) ?
    C29 C30 . 1.380(15) ?
    C30 H30 . 0.9300 ?
    C30 C31 . 1.356(13) ?
    C31 H31 . 0.9300 ?
    C32 H32A . 0.9600 ?
    C32 H32B . 0.9600 ?
    C32 H32C . 0.9600 ?
    Pd2 Cl3 . 2.297(3) ?
    Pd2 Cl4 . 2.321(3) ?
    Pd2 N3 . 2.034(7) ?
    Pd2 N4 . 2.040(8) ?
    C38 Br3 . 1.921(17) ?
    C38 Br3A . 1.88(3) ?
    C38 C37 . 1.367(17) ?
    C38 C39 . 1.364(16) ?
    C54 Br4 . 1.929(17) ?
    C54 Br4A . 1.83(2) ?
    C54 C53 . 1.37(2) ?
    C54 C55 . 1.35(2) ?
    O3 C45 . 1.342(13) ?
    O3 C48 . 1.417(15) ?
    O4 C61 . 1.380(14) ?
    O4 C64 . 1.431(14) ?
    N3 C33 . 1.498(12) ?
    N3 C41 . 1.271(11) ?
    N4 C49 . 1.526(12) ?
    N4 C57 . 1.294(12) ?
    C33 H33 . 0.9800 ?
    C33 C34 . 1.527(14) ?
    C33 C35 . 1.510(14) ?
    C34 H34A . 0.9600 ?
    C34 H34B . 0.9600 ?
    C34 H34C . 0.9600 ?
    C35 C36 . 1.370(15) ?
    C35 C40 . 1.376(13) ?
    C36 H36 . 0.9300 ?
    C36 C37 . 1.369(16) ?
    C37 H37 . 0.9300 ?
    C39 H39 . 0.9300 ?
    C39 C40 . 1.399(15) ?
    C40 H40 . 0.9300 ?
    C41 H41 . 0.9300 ?
    C41 C42 . 1.434(14) ?
    C42 C43 . 1.399(13) ?
    C42 C47 . 1.385(13) ?
    C43 H43 . 0.9300 ?
    C43 C44 . 1.370(16) ?
    C44 H44 . 0.9300 ?
    C44 C45 . 1.389(17) ?
    C45 C46 . 1.333(16) ?
    C46 H46 . 0.9300 ?
    C46 C47 . 1.388(15) ?
    C47 H47 . 0.9300 ?
    C48 H48A . 0.9600 ?
    C48 H48B . 0.9600 ?
    C48 H48C . 0.9600 ?
    C49 H49 . 0.9800 ?
    C49 C50 . 1.507(15) ?
    C49 C51 . 1.520(16) ?
    C50 H50A . 0.9600 ?
    C50 H50B . 0.9600 ?
    C50 H50C . 0.9600 ?
    C51 C52 . 1.374(16) ?
    C51 C56 . 1.352(16) ?
    C52 H52 . 0.9300 ?
    C52 C53 . 1.390(17) ?
    C53 H53 . 0.9300 ?
    C55 H55 . 0.9300 ?
    C55 C56 . 1.364(18) ?
    C56 H56 . 0.9300 ?
    C57 H57 . 0.9300 ?
    C57 C58 . 1.424(15) ?
    C58 C59 . 1.348(14) ?
    C58 C63 . 1.380(14) ?
    C59 H59 . 0.9300 ?
    C59 C60 . 1.392(16) ?
    C60 H60 . 0.9300 ?
    C60 C61 . 1.348(15) ?
    C61 C62 . 1.392(16) ?
    C62 H62 . 0.9300 ?
    C62 C63 . 1.359(16) ?
    C63 H63 . 0.9300 ?
    C64 H64A . 0.9600 ?
    C64 H64B . 0.9600 ?
    C64 H64C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl2 Pd1 Cl1 . . 176.95(10) ?
    N1 Pd1 Cl1 . . 92.88(19) ?
    N1 Pd1 Cl2 . . 89.5(2) ?
    N2 Pd1 Cl1 . . 87.7(2) ?
    N2 Pd1 Cl2 . . 89.8(2) ?
    N2 Pd1 N1 . . 176.5(3) ?
    C13 O1 C16 . . 117.6(11) ?
    C29 O2 C32 . . 117.2(10) ?
    C1 N1 Pd1 . . 121.7(6) ?
    C9 N1 Pd1 . . 121.6(7) ?
    C9 N1 C1 . . 116.1(8) ?
    C17 N2 Pd1 . . 114.9(6) ?
    C25 N2 Pd1 . . 128.6(6) ?
    C25 N2 C17 . . 116.4(8) ?
    N1 C1 H1 . . 106.9 ?
    N1 C1 C2 . . 109.8(8) ?
    N1 C1 C3 . . 111.6(7) ?
    C2 C1 H1 . . 106.9 ?
    C3 C1 H1 . . 106.9 ?
    C3 C1 C2 . . 114.5(9) ?
    C1 C2 H2A . . 109.5 ?
    C1 C2 H2B . . 109.5 ?
    C1 C2 H2C . . 109.5 ?
    H2A C2 H2B . . 109.5 ?
    H2A C2 H2C . . 109.5 ?
    H2B C2 H2C . . 109.5 ?
    C4 C3 C1 . . 124.8(9) ?
    C4 C3 C8 . . 117.8(10) ?
    C8 C3 C1 . . 117.3(10) ?
    C3 C4 H4 . . 118.4 ?
    C3 C4 C5 . . 123.1(11) ?
    C5 C4 H4 . . 118.4 ?
    C4 C5 H5 . . 121.0 ?
    C6 C5 C4 . . 117.9(11) ?
    C6 C5 H5 . . 121.0 ?
    C5 C6 Br1 . . 120.3(10) ?
    C7 C6 Br1 . . 117.8(10) ?
    C7 C6 C5 . . 121.9(11) ?
    C6 C7 H7 . . 120.8 ?
    C6 C7 C8 . . 118.4(11) ?
    C8 C7 H7 . . 120.8 ?
    C3 C8 C7 . . 120.7(11) ?
    C3 C8 H8 . . 119.6 ?
    C7 C8 H8 . . 119.6 ?
    N1 C9 H9 . . 115.8 ?
    N1 C9 C10 . . 128.4(9) ?
    C10 C9 H9 . . 115.8 ?
    C11 C10 C9 . . 116.9(9) ?
    C15 C10 C9 . . 125.3(9) ?
    C15 C10 C11 . . 117.7(9) ?
    C10 C11 H11 . . 119.5 ?
    C12 C11 C10 . . 120.9(10) ?
    C12 C11 H11 . . 119.5 ?
    C11 C12 H12 . . 120.3 ?
    C11 C12 C13 . . 119.5(10) ?
    C13 C12 H12 . . 120.3 ?
    O1 C13 C12 . . 124.7(11) ?
    O1 C13 C14 . . 114.7(11) ?
    C12 C13 C14 . . 120.6(11) ?
    C13 C14 H14 . . 120.7 ?
    C15 C14 C13 . . 118.6(11) ?
    C15 C14 H14 . . 120.7 ?
    C10 C15 H15 . . 118.7 ?
    C14 C15 C10 . . 122.6(9) ?
    C14 C15 H15 . . 118.7 ?
    O1 C16 H16A . . 109.5 ?
    O1 C16 H16B . . 109.5 ?
    O1 C16 H16C . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N2 C17 H17 . . 106.2 ?
    C18 C17 N2 . . 109.7(8) ?
    C18 C17 H17 . . 106.2 ?
    C19 C17 N2 . . 112.4(7) ?
    C19 C17 H17 . . 106.2 ?
    C19 C17 C18 . . 115.4(9) ?
    C17 C18 H18A . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    C17 C18 H18C . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C20 C19 C17 . . 119.1(10) ?
    C24 C19 C17 . . 123.8(9) ?
    C24 C19 C20 . . 117.0(10) ?
    C19 C20 H20 . . 118.7 ?
    C21 C20 C19 . . 122.6(12) ?
    C21 C20 H20 . . 118.7 ?
    C20 C21 H21 . . 121.1 ?
    C20 C21 C22 . . 117.8(11) ?
    C22 C21 H21 . . 121.1 ?
    C21 C22 Br2 . . 118.2(9) ?
    C23 C22 Br2 . . 120.8(10) ?
    C23 C22 C21 . . 121.0(11) ?
    C22 C23 H23 . . 119.9 ?
    C22 C23 C24 . . 120.2(11) ?
    C24 C23 H23 . . 119.9 ?
    C19 C24 C23 . . 121.4(10) ?
    C19 C24 H24 . . 119.3 ?
    C23 C24 H24 . . 119.3 ?
    N2 C25 H25 . . 116.1 ?
    N2 C25 C26 . . 127.8(9) ?
    C26 C25 H25 . . 116.1 ?
    C27 C26 C25 . . 116.4(9) ?
    C31 C26 C25 . . 125.2(9) ?
    C31 C26 C27 . . 118.4(9) ?
    C26 C27 H27 . . 118.8 ?
    C28 C27 C26 . . 122.3(10) ?
    C28 C27 H27 . . 118.8 ?
    C27 C28 H28 . . 120.5 ?
    C27 C28 C29 . . 119.1(10) ?
    C29 C28 H28 . . 120.5 ?
    O2 C29 C28 . . 125.7(11) ?
    O2 C29 C30 . . 115.7(11) ?
    C28 C29 C30 . . 118.6(10) ?
    C29 C30 H30 . . 119.0 ?
    C31 C30 C29 . . 122.0(10) ?
    C31 C30 H30 . . 119.0 ?
    C26 C31 H31 . . 120.2 ?
    C30 C31 C26 . . 119.6(9) ?
    C30 C31 H31 . . 120.2 ?
    O2 C32 H32A . . 109.5 ?
    O2 C32 H32B . . 109.5 ?
    O2 C32 H32C . . 109.5 ?
    H32A C32 H32B . . 109.5 ?
    H32A C32 H32C . . 109.5 ?
    H32B C32 H32C . . 109.5 ?
    Cl3 Pd2 Cl4 . . 176.77(10) ?
    N3 Pd2 Cl3 . . 89.4(2) ?
    N3 Pd2 Cl4 . . 87.4(2) ?
    N3 Pd2 N4 . . 175.2(3) ?
    N4 Pd2 Cl3 . . 90.6(2) ?
    N4 Pd2 Cl4 . . 92.6(2) ?
    C37 C38 Br3 . . 124.4(13) ?
    C37 C38 Br3A . . 109.4(19) ?
    C39 C38 Br3 . . 114.9(13) ?
    C39 C38 Br3A . . 129.9(19) ?
    C39 C38 C37 . . 120.7(11) ?
    C53 C54 Br4 . . 113.8(15) ?
    C53 C54 Br4A . . 131(2) ?
    C55 C54 Br4 . . 126.4(15) ?
    C55 C54 Br4A . . 109(2) ?
    C55 C54 C53 . . 119.8(14) ?
    C45 O3 C48 . . 118.0(10) ?
    C61 O4 C64 . . 118.4(10) ?
    C33 N3 Pd2 . . 111.3(6) ?
    C41 N3 Pd2 . . 129.9(7) ?
    C41 N3 C33 . . 118.6(8) ?
    C49 N4 Pd2 . . 118.4(6) ?
    C57 N4 Pd2 . . 124.6(7) ?
    C57 N4 C49 . . 117.0(8) ?
    N3 C33 H33 . . 105.3 ?
    N3 C33 C34 . . 110.1(9) ?
    N3 C33 C35 . . 115.3(8) ?
    C34 C33 H33 . . 105.3 ?
    C35 C33 H33 . . 105.3 ?
    C35 C33 C34 . . 114.6(9) ?
    C33 C34 H34A . . 109.5 ?
    C33 C34 H34B . . 109.5 ?
    C33 C34 H34C . . 109.5 ?
    H34A C34 H34B . . 109.5 ?
    H34A C34 H34C . . 109.5 ?
    H34B C34 H34C . . 109.5 ?
    C36 C35 C33 . . 120.1(10) ?
    C36 C35 C40 . . 118.7(11) ?
    C40 C35 C33 . . 121.3(10) ?
    C35 C36 H36 . . 119.3 ?
    C37 C36 C35 . . 121.4(12) ?
    C37 C36 H36 . . 119.3 ?
    C38 C37 C36 . . 119.6(12) ?
    C38 C37 H37 . . 120.2 ?
    C36 C37 H37 . . 120.2 ?
    C38 C39 H39 . . 120.4 ?
    C38 C39 C40 . . 119.2(11) ?
    C40 C39 H39 . . 120.4 ?
    C35 C40 C39 . . 120.3(10) ?
    C35 C40 H40 . . 119.9 ?
    C39 C40 H40 . . 119.9 ?
    N3 C41 H41 . . 116.6 ?
    N3 C41 C42 . . 126.7(9) ?
    C42 C41 H41 . . 116.6 ?
    C43 C42 C41 . . 118.6(9) ?
    C47 C42 C41 . . 124.6(9) ?
    C47 C42 C43 . . 116.7(10) ?
    C42 C43 H43 . . 119.7 ?
    C44 C43 C42 . . 120.5(12) ?
    C44 C43 H43 . . 119.7 ?
    C43 C44 H44 . . 119.1 ?
    C43 C44 C45 . . 121.9(11) ?
    C45 C44 H44 . . 119.1 ?
    O3 C45 C44 . . 117.0(11) ?
    C46 C45 O3 . . 125.6(12) ?
    C46 C45 C44 . . 117.4(11) ?
    C45 C46 H46 . . 118.8 ?
    C45 C46 C47 . . 122.5(12) ?
    C47 C46 H46 . . 118.8 ?
    C42 C47 C46 . . 120.8(10) ?
    C42 C47 H47 . . 119.6 ?
    C46 C47 H47 . . 119.6 ?
    O3 C48 H48A . . 109.5 ?
    O3 C48 H48B . . 109.5 ?
    O3 C48 H48C . . 109.5 ?
    H48A C48 H48B . . 109.5 ?
    H48A C48 H48C . . 109.5 ?
    H48B C48 H48C . . 109.5 ?
    N4 C49 H49 . . 105.6 ?
    C50 C49 N4 . . 112.9(9) ?
    C50 C49 H49 . . 105.6 ?
    C50 C49 C51 . . 115.6(10) ?
    C51 C49 N4 . . 110.5(8) ?
    C51 C49 H49 . . 105.6 ?
    C49 C50 H50A . . 109.5 ?
    C49 C50 H50B . . 109.5 ?
    C49 C50 H50C . . 109.5 ?
    H50A C50 H50B . . 109.5 ?
    H50A C50 H50C . . 109.5 ?
    H50B C50 H50C . . 109.5 ?
    C52 C51 C49 . . 119.5(11) ?
    C56 C51 C49 . . 121.3(13) ?
    C56 C51 C52 . . 119.2(13) ?
    C51 C52 H52 . . 120.2 ?
    C51 C52 C53 . . 119.7(13) ?
    C53 C52 H52 . . 120.2 ?
    C54 C53 C52 . . 119.6(15) ?
    C54 C53 H53 . . 120.2 ?
    C52 C53 H53 . . 120.2 ?
    C54 C55 H55 . . 119.8 ?
    C54 C55 C56 . . 120.3(15) ?
    C56 C55 H55 . . 119.8 ?
    C51 C56 C55 . . 121.3(14) ?
    C51 C56 H56 . . 119.3 ?
    C55 C56 H56 . . 119.3 ?
    N4 C57 H57 . . 114.6 ?
    N4 C57 C58 . . 130.9(9) ?
    C58 C57 H57 . . 114.6 ?
    C59 C58 C57 . . 115.3(9) ?
    C59 C58 C63 . . 116.2(11) ?
    C63 C58 C57 . . 128.5(10) ?
    C58 C59 H59 . . 117.8 ?
    C58 C59 C60 . . 124.4(11) ?
    C60 C59 H59 . . 117.8 ?
    C59 C60 H60 . . 120.8 ?
    C61 C60 C59 . . 118.4(11) ?
    C61 C60 H60 . . 120.8 ?
    O4 C61 C62 . . 116.5(11) ?
    C60 C61 O4 . . 124.9(11) ?
    C60 C61 C62 . . 118.5(12) ?
    C61 C62 H62 . . 119.3 ?
    C63 C62 C61 . . 121.4(11) ?
    C63 C62 H62 . . 119.3 ?
    C58 C63 H63 . . 119.5 ?
    C62 C63 C58 . . 121.0(11) ?
    C62 C63 H63 . . 119.5 ?
    O4 C64 H64A . . 109.5 ?
    O4 C64 H64B . . 109.5 ?
    O4 C64 H64C . . 109.5 ?
    H64A C64 H64B . . 109.5 ?
    H64A C64 H64C . . 109.5 ?
    H64B C64 H64C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Pd1 N1 C1 C2 . . . . -62.3(9) ?
    Pd1 N1 C1 C3 . . . . 65.7(9) ?
    Pd1 N1 C9 C10 . . . . 13.6(13) ?
    Pd1 N2 C17 C18 . . . . 107.5(8) ?
    Pd1 N2 C17 C19 . . . . -122.7(7) ?
    Pd1 N2 C25 C26 . . . . -4.5(14) ?
    Br1 C6 C7 C8 . . . . -178.6(9) ?
    Br2 C22 C23 C24 . . . . -179.3(8) ?
    O1 C13 C14 C15 . . . . -179.6(10) ?
    O2 C29 C30 C31 . . . . -175.3(11) ?
    N1 C1 C3 C4 . . . . -110.2(11) ?
    N1 C1 C3 C8 . . . . 72.4(11) ?
    N1 C9 C10 C11 . . . . -154.2(9) ?
    N1 C9 C10 C15 . . . . 29.4(16) ?
    N2 C17 C19 C20 . . . . 83.5(11) ?
    N2 C17 C19 C24 . . . . -93.4(10) ?
    N2 C25 C26 C27 . . . . 156.6(10) ?
    N2 C25 C26 C31 . . . . -23.0(16) ?
    C1 N1 C9 C10 . . . . -175.5(8) ?
    C1 C3 C4 C5 . . . . -178.6(10) ?
    C1 C3 C8 C7 . . . . 177.9(10) ?
    C2 C1 C3 C4 . . . . 15.2(14) ?
    C2 C1 C3 C8 . . . . -162.2(9) ?
    C3 C4 C5 C6 . . . . 2.0(17) ?
    C4 C3 C8 C7 . . . . 0.3(17) ?
    C4 C5 C6 Br1 . . . . 177.8(8) ?
    C4 C5 C6 C7 . . . . -1.9(18) ?
    C5 C6 C7 C8 . . . . 1.1(19) ?
    C6 C7 C8 C3 . . . . -0.3(19) ?
    C8 C3 C4 C5 . . . . -1.2(17) ?
    C9 N1 C1 C2 . . . . 126.8(9) ?
    C9 N1 C1 C3 . . . . -105.2(9) ?
    C9 C10 C11 C12 . . . . -178.2(9) ?
    C9 C10 C15 C14 . . . . 178.5(10) ?
    C10 C11 C12 C13 . . . . 0.4(16) ?
    C11 C10 C15 C14 . . . . 2.1(16) ?
    C11 C12 C13 O1 . . . . -180.0(10) ?
    C11 C12 C13 C14 . . . . 0.4(18) ?
    C12 C13 C14 C15 . . . . 0.0(18) ?
    C13 C14 C15 C10 . . . . -1.3(17) ?
    C15 C10 C11 C12 . . . . -1.6(15) ?
    C16 O1 C13 C12 . . . . 0.6(17) ?
    C16 O1 C13 C14 . . . . -179.8(11) ?
    C17 N2 C25 C26 . . . . -179.9(8) ?
    C17 C19 C20 C21 . . . . -179.5(10) ?
    C17 C19 C24 C23 . . . . 178.3(9) ?
    C18 C17 C19 C20 . . . . -149.7(9) ?
    C18 C17 C19 C24 . . . . 33.5(13) ?
    C19 C20 C21 C22 . . . . 2.1(17) ?
    C20 C19 C24 C23 . . . . 1.4(14) ?
    C20 C21 C22 Br2 . . . . 178.3(8) ?
    C20 C21 C22 C23 . . . . -0.8(17) ?
    C21 C22 C23 C24 . . . . -0.2(17) ?
    C22 C23 C24 C19 . . . . -0.2(16) ?
    C24 C19 C20 C21 . . . . -2.5(15) ?
    C25 N2 C17 C18 . . . . -76.5(11) ?
    C25 N2 C17 C19 . . . . 53.3(11) ?
    C25 C26 C27 C28 . . . . -177.3(11) ?
    C25 C26 C31 C30 . . . . 178.5(10) ?
    C26 C27 C28 C29 . . . . -1.1(19) ?
    C27 C26 C31 C30 . . . . -1.1(16) ?
    C27 C28 C29 O2 . . . . 176.3(11) ?
    C27 C28 C29 C30 . . . . -1.4(19) ?
    C28 C29 C30 C31 . . . . 2.6(19) ?
    C29 C30 C31 C26 . . . . -1.3(18) ?
    C31 C26 C27 C28 . . . . 2.3(17) ?
    C32 O2 C29 C28 . . . . -22.3(19) ?
    C32 O2 C29 C30 . . . . 155.4(12) ?
    Pd2 N3 C33 C34 . . . . 102.2(8) ?
    Pd2 N3 C33 C35 . . . . -126.2(7) ?
    Pd2 N3 C41 C42 . . . . 3.9(15) ?
    Pd2 N4 C49 C50 . . . . -48.5(11) ?
    Pd2 N4 C49 C51 . . . . 82.8(10) ?
    Pd2 N4 C57 C58 . . . . -3.2(16) ?
    C38 C39 C40 C35 . . . . -1.0(17) ?
    Br3 C38 C37 C36 . . . . -180.0(10) ?
    Br3 C38 C39 C40 . . . . 179.0(9) ?
    Br3A C38 C37 C36 . . . . -178.0(12) ?
    Br3A C38 C39 C40 . . . . 176.4(12) ?
    C54 C55 C56 C51 . . . . 0.0(19) ?
    Br4 C54 C53 C52 . . . . 178.4(11) ?
    Br4 C54 C55 C56 . . . . -179.9(10) ?
    Br4A C54 C53 C52 . . . . -176.1(14) ?
    Br4A C54 C55 C56 . . . . 176.1(11) ?
    O3 C45 C46 C47 . . . . 177.1(11) ?
    O4 C61 C62 C63 . . . . 179.4(12) ?
    N3 C33 C35 C36 . . . . 87.7(12) ?
    N3 C33 C35 C40 . . . . -91.4(12) ?
    N3 C41 C42 C43 . . . . -169.2(10) ?
    N3 C41 C42 C47 . . . . 15.9(16) ?
    N4 C49 C51 C52 . . . . -94.2(12) ?
    N4 C49 C51 C56 . . . . 86.8(12) ?
    N4 C57 C58 C59 . . . . 177.6(12) ?
    N4 C57 C58 C63 . . . . -3(2) ?
    C33 N3 C41 C42 . . . . 178.8(9) ?
    C33 C35 C36 C37 . . . . 176.0(11) ?
    C33 C35 C40 C39 . . . . -177.0(10) ?
    C34 C33 C35 C36 . . . . -142.9(11) ?
    C34 C33 C35 C40 . . . . 38.0(15) ?
    C35 C36 C37 C38 . . . . 3.1(19) ?
    C36 C35 C40 C39 . . . . 3.8(17) ?
    C37 C38 C39 C40 . . . . -0.7(17) ?
    C39 C38 C37 C36 . . . . -0.3(18) ?
    C40 C35 C36 C37 . . . . -4.9(18) ?
    C41 N3 C33 C34 . . . . -73.5(11) ?
    C41 N3 C33 C35 . . . . 58.0(12) ?
    C41 C42 C43 C44 . . . . -179.7(11) ?
    C41 C42 C47 C46 . . . . 179.7(10) ?
    C42 C43 C44 C45 . . . . 1(2) ?
    C43 C42 C47 C46 . . . . 4.6(16) ?
    C43 C44 C45 O3 . . . . -176.9(13) ?
    C43 C44 C45 C46 . . . . 3(2) ?
    C44 C45 C46 C47 . . . . -2(2) ?
    C45 C46 C47 C42 . . . . -1.4(19) ?
    C47 C42 C43 C44 . . . . -4.3(18) ?
    C48 O3 C45 C44 . . . . 174.3(11) ?
    C48 O3 C45 C46 . . . . -5.1(19) ?
    C49 N4 C57 C58 . . . . 174.9(10) ?
    C49 C51 C52 C53 . . . . 179.5(11) ?
    C49 C51 C56 C55 . . . . 179.0(10) ?
    C50 C49 C51 C52 . . . . 35.7(15) ?
    C50 C49 C51 C56 . . . . -143.4(11) ?
    C51 C52 C53 C54 . . . . 3(2) ?
    C52 C51 C56 C55 . . . . -0.1(17) ?
    C53 C54 C55 C56 . . . . 1(2) ?
    C55 C54 C53 C52 . . . . -3(2) ?
    C56 C51 C52 C53 . . . . -1.4(18) ?
    C57 N4 C49 C50 . . . . 133.4(10) ?
    C57 N4 C49 C51 . . . . -95.4(11) ?
    C57 C58 C59 C60 . . . . 178.2(11) ?
    C57 C58 C63 C62 . . . . 180.0(12) ?
    C58 C59 C60 C61 . . . . 4(2) ?
    C59 C58 C63 C62 . . . . -1.1(19) ?
    C59 C60 C61 O4 . . . . 179.2(11) ?
    C59 C60 C61 C62 . . . . -5.2(19) ?
    C60 C61 C62 C63 . . . . 3(2) ?
    C61 C62 C63 C58 . . . . 0(2) ?
    C63 C58 C59 C60 . . . . -0.9(19) ?
    C64 O4 C61 C60 . . . . 6.2(17) ?
    C64 O4 C61 C62 . . . . -169.4(12) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C2 H2C Cl1 1_554 0.96 2.844 3.354 114.25 yes
    C7 H7 Br4 1_554 0.93 2.608 3.269 128.55 yes
    C9 H9 Cl4 2_656 0.93 2.958 3.883 173.18 yes
    C18 H18 Cl2 1_565 0.96 2.922 3.679 136.58 yes
    C21 H21 Br3 1_565 0.93 3.007 3.646 127.21 yes
    C28 H28 Cl4 2_657 0.93 2.792 3.544 138.62 yes
    C32 H32B Br2 2_647 0.96 2.979 3.811 145.84 yes
    C32 H32C Br4 2_647 0.96 2.791 3.607 143.34 yes
    C34 H34A Cl3 2_647 0.96 2.94 3.709 137.99 yes
    C48 H48A Br3 2_656 0.96 3.035 3.483 110.05 yes
    C48 H48 O2 2_647 0.96 2.625 3.426 141.16 yes
    C50 H50A Cl4 2_647 0.96 2.901 3.376 111.69 yes
    C64 H64A O1 1_546 0.96 2.571 3.284 131.22 yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
data_global
_journal_date_recd_electronic     2023-12-08
_journal_date_accepted     2024-01-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2024
_journal_volume     80
_journal_issue      1
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989024000690
_journal_coeditor_code     EE2003
_publ_contact_author_name     'Guadalupe Hernández Téllez'
_publ_contact_author_address
;
Lab. Síntesis de Complejos
Fac. Cs. Quím.-BUAP
Ciudad Universitaria
PO Box 72592 Puebla
Mexico
;
_publ_contact_author_email     guadalupe.hernandez@correo.buap.mx
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;\
(S)-(+)-1-(4-Bromophenyl)-N-[(4-methoxyphenyl)methylidene]\
ethylamine and
Dichloridobis{(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)\
methylidene]ethylamine-κN}palladium(II)
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Anzaldo, Bertin' .
;
Lab. Síntesis de Complejos
Fac. Cs. Quím.--BUAP
Ciudad Universitaria
PO Box 72592 Puebla
Mexico
;
    'Moreno Morales, Gloria E.' .
;
Lab. Síntesis de Complejos
Fac. Cs. Quím.--BUAP
Ciudad Universitaria
PO Box 72592 Puebla
Mexico
;
    'Villamizar C., Claudia P.' .
;
Instituto de Química Universidad Autónoma de México UNAM
Circuito Exterior Cd Universitaria
PO Box 04510
Ciudad de México
Mexico
;
    'Mendoza, Ángel' .
;
Lab. Síntesis de Complejos
Fac. Cs. Quím.--BUAP
Ciudad Universitaria
PO Box 72592 Puebla
Mexico
;
    'Hernández Téllez, Guadalupe' .
;
Lab. Síntesis de Complejos
Fac. Cs. Quím.--BUAP
Ciudad Universitaria
PO Box 72592 Puebla
Mexico
;
_publ_section_synopsis
;\
The synthesis, crystal structure and analysis of a chiral Schiff base
(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylidene]\
ethylamine ligand along with its corresponding palladium(II) complex are
detailed. The crystal structures exhibit monoclinic P2₁ and
orthorhombic P2₁2₁2₁ symmetries, respectively. The structure of
the palladium(II) complex reveals C---H...O and C---H...Br hydrogen-bonding
interactions involving two distinct molecules within the asymmetric unit.
;
