##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     'SHELXL-97_UPDATE'
_journal_date_recd_electronic     2003-06-20
_journal_date_accepted     2003-09-30
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2003
_journal_volume     59
_journal_issue     11
_journal_page_first     m487
_journal_page_last     m490
_journal_paper_category     FM
_publ_contact_author_name     'Dr. Masui, Dai'
_publ_contact_author_address
;Department of Applied Chemistry
Graduate Course of Engineering
Tokyo Metropolitan University
1-1, Minami-Osawa
Tokyo
Japan
192-0397
;
_publ_contact_author_email     masuidai@comp.metro-u.ac.jp
_publ_contact_author_fax       0E*****
_publ_contact_author_phone     +81(426)771111x4954
_publ_section_title
;
{Bis[(S)-4-tert-butyl-4,5-dihydrooxazol-2-ylphenyl]phenylphoshine-
κ²N,P}(1,3-dimethyl-π-allyl-κ³C)palladium(II) bis(hexafluorophosphate)
and
(S)P-{bis[(S)-4-tert-butyl-4,5-dihydrooxazol-2-ylphenyl]phenylphoshine-
κ²N,P}dichloropalladium(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Masui, Dai'
;
Department of Applied Chemistry
Graduate Course of Engineering
Tokyo Metropolitan University
1-1 Minami-Osawa
Tokyo 192-0397
Japan
;
    'Ohnuki, Masatoshi'
;Department of Applied Chemistry
Graduate Course of Engineering
Tokyo Metropolitan University
1-1 Minami-Osawa
Tokyo 192-0397
Japan
;
    'Yamaguchi, Motowo'
;Department of Applied Chemistry
Graduate Course of Engineering
Tokyo Metropolitan University
1-1 Minami-Osawa
Tokyo 192-0397
Japan
;
    'Yamagishi, Takamichi'
;Department of Applied Chemistry
Graduate Course of Engineering
Tokyo Metropolitan University
1-1 Minami-Osawa
Tokyo 192-0397
Japan
;
data_I
_chemical_name_systematic     ?
_chemical_name_common     ?
_chemical_formula_moiety     'C37 H46 N2 O2 P Pd 1+, P F6 1-'
_chemical_formula_sum     'C37 H46 F6 N2 O2 P2 Pd'
_chemical_formula_iupac     '[Pd (C32 H37 N2 O2 P) (C5 H9)] P F6'
_chemical_formula_weight     833.10
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21'
_symmetry_space_group_name_Hall     'P 2yb'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     10.3152(13)
_cell_length_b     13.5764(17)
_cell_length_c     13.8415(18)
_cell_angle_alpha     90.00
_cell_angle_beta     96.345(2)
_cell_angle_gamma     90.00
_cell_volume     1926.5(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     972
_cell_measurement_theta_min     1.99
_cell_measurement_theta_max     27.75
_cell_measurement_temperature     293(2)
_cell_special_details
;
?
;
_exptl_crystal_description     block
_exptl_crystal_colour     'pale yellow'
_exptl_crystal_size_max     0.8
_exptl_crystal_size_mid     0.4
_exptl_crystal_size_min     0.4
_exptl_crystal_size_rad     ?
_exptl_crystal_density_diffrn     1.436
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     856
_exptl_absorpt_coefficient_mu     0.628
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.536008
_exptl_absorpt_correction_T_max     0.633490
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     66
_diffrn_reflns_number     12103
_diffrn_reflns_av_R_equivalents     0.0137
_diffrn_reflns_av_sigmaI/netI     0.0272
_diffrn_reflns_theta_min     1.99
_diffrn_reflns_theta_max     27.75
_diffrn_reflns_theta_full     27.75
_diffrn_measured_fraction_theta_max     0.961
_diffrn_measured_fraction_theta_full     0.961
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     291
_diffrn_standards_interval_time     63
_diffrn_standards_decay_%     -0.12
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     8317
_reflns_number_gt     7836
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0316
_refine_ls_R_factor_gt     0.0296
_refine_ls_wR_factor_gt     0.0735
_refine_ls_wR_factor_ref     0.0743
_refine_ls_goodness_of_fit_ref     1.004
_refine_ls_restrained_S_all     1.004
_refine_ls_number_reflns     8317
_refine_ls_number_parameters     459
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0492P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.575
_refine_diff_density_min     -0.275
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 3757 Friedel pairs'
_refine_ls_abs_structure_Flack     0.001(17)
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'
    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'
    P P 0.1023 0.0942 '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'
    F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
                                'SHELXTL (Bruker, 1997) and PLATON (Spek, 2003)'
loop_
    _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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Pd1 0.921373(16) 0.473424(15) 0.821573(11) 0.03385(6) Uani d . 1 . . Pd
    P1 0.97012(6) 0.40147(5) 0.68067(5) 0.03107(13) Uani d . 1 . . P
    N1 0.8113(2) 0.57856(16) 0.73314(16) 0.0368(5) Uani d . 1 . . N
    N2 0.7852(3) 0.2731(2) 0.7696(2) 0.0429(6) Uani d . 1 . . N
    O1 0.6706(2) 0.64276(17) 0.61573(17) 0.0592(6) Uani d . 1 . . O
    O2 0.8575(3) 0.1391(2) 0.8539(2) 0.0700(8) Uani d . 1 . . O
    C1 0.8266(2) 0.4037(2) 0.58980(18) 0.0335(5) Uani d . 1 . . C
    C2 0.8104(3) 0.3296(2) 0.5204(2) 0.0445(6) Uani d . 1 . . C
    H2A 0.8697 0.2778 0.5231 0.053 Uiso calc R 1 . . H
    C3 0.7071(4) 0.3313(2) 0.4468(2) 0.0535(8) Uani d . 1 . . C
    H3A 0.6986 0.2815 0.4004 0.064 Uiso calc R 1 . . H
    C4 0.6186(3) 0.4059(3) 0.4427(2) 0.0532(8) Uani d . 1 . . C
    H4A 0.5496 0.4074 0.3934 0.064 Uiso calc R 1 . . H
    C5 0.6315(2) 0.4786(3) 0.51117(19) 0.0456(6) Uani d . 1 . . C
    H5A 0.5691 0.5283 0.5087 0.055 Uiso calc R 1 . . H
    C6 0.7359(2) 0.4805(3) 0.58514(16) 0.0347(5) Uani d . 1 . . C
    C7 0.7436(3) 0.5665(2) 0.6504(2) 0.0387(6) Uani d . 1 . . C
    C8 0.6779(4) 0.7150(3) 0.6931(3) 0.0721(11) Uani d . 1 . . C
    H8A 0.5992 0.7139 0.7257 0.086 Uiso calc R 1 . . H
    H8B 0.6897 0.7807 0.6680 0.086 Uiso calc R 1 . . H
    C9 0.7952(4) 0.6841(2) 0.7619(3) 0.0482(9) Uani d . 1 . . C
    H9A 0.7718 0.6861 0.8286 0.058 Uiso calc R 1 . . H
    C10 0.9202(5) 0.7451(2) 0.7569(3) 0.0603(10) Uani d . 1 . . C
    C11 1.0309(4) 0.7077(3) 0.8293(4) 0.0787(12) Uani d . 1 . . C
    H11A 1.0517 0.6412 0.8134 0.118 Uiso calc R 1 . . H
    H11B 1.0046 0.7097 0.8937 0.118 Uiso calc R 1 . . H
    H11C 1.1063 0.7486 0.8266 0.118 Uiso calc R 1 . . H
    C12 0.9623(6) 0.7449(3) 0.6533(3) 0.0891(15) Uani d . 1 . . C
    H12A 1.0353 0.7883 0.6508 0.134 Uiso calc R 1 . . H
    H12B 0.8911 0.7668 0.6079 0.134 Uiso calc R 1 . . H
    H12C 0.9868 0.6793 0.6366 0.134 Uiso calc R 1 . . H
    C13 0.8870(6) 0.8527(3) 0.7854(4) 0.0911(15) Uani d . 1 . . C
    H13A 0.8501 0.8522 0.8461 0.137 Uiso calc R 1 . . H
    H13B 0.8254 0.8805 0.7358 0.137 Uiso calc R 1 . . H
    H13C 0.9652 0.8916 0.7919 0.137 Uiso calc R 1 . . H
    C14 1.0319(3) 0.2750(2) 0.67755(19) 0.0350(5) Uani d . 1 . . C
    C15 1.1345(3) 0.2545(2) 0.6220(2) 0.0421(6) Uani d . 1 . . C
    H15A 1.1661 0.3044 0.5849 0.051 Uiso calc R 1 . . H
    C16 1.1899(3) 0.1614(3) 0.6212(3) 0.0519(8) Uani d . 1 . . C
    H16A 1.2546 0.1484 0.5811 0.062 Uiso calc R 1 . . H
    C17 1.1495(3) 0.0887(2) 0.6791(3) 0.0576(9) Uani d . 1 . . C
    H17A 1.1896 0.0273 0.6810 0.069 Uiso calc R 1 . . H
    C18 1.0492(3) 0.1065(2) 0.7348(3) 0.0527(8) Uani d . 1 . . C
    H18A 1.0224 0.0568 0.7743 0.063 Uiso calc R 1 . . H
    C19 0.9869(3) 0.1989(2) 0.7327(2) 0.0381(6) Uani d . 1 . . C
    C20 0.8716(3) 0.2090(2) 0.7844(2) 0.0431(7) Uani d . 1 . . C
    C21 0.7362(4) 0.1635(4) 0.8922(4) 0.0812(13) Uani d . 1 . . C
    H21A 0.7519 0.1804 0.9606 0.097 Uiso calc R 1 . . H
    H21B 0.6759 0.1085 0.8847 0.097 Uiso calc R 1 . . H
    C22 0.6823(3) 0.2512(3) 0.8328(2) 0.0472(7) Uani d . 1 . . C
    H22A 0.6759 0.3070 0.8769 0.057 Uiso calc R 1 . . H
    C23 0.5493(3) 0.2365(3) 0.7739(2) 0.0527(8) Uani d . 1 . . C
    C24 0.5082(5) 0.3299(5) 0.7211(5) 0.1038(19) Uani d . 1 . . C
    H24A 0.5072 0.3829 0.7670 0.156 Uiso calc R 1 . . H
    H24B 0.4226 0.3217 0.6872 0.156 Uiso calc R 1 . . H
    H24C 0.5688 0.3450 0.6753 0.156 Uiso calc R 1 . . H
    C25 0.4477(4) 0.2099(4) 0.8415(3) 0.0696(11) Uani d . 1 . . C
    H25A 0.4439 0.2609 0.8891 0.104 Uiso calc R 1 . . H
    H25B 0.4712 0.1488 0.8736 0.104 Uiso calc R 1 . . H
    H25C 0.3639 0.2032 0.8043 0.104 Uiso calc R 1 . . H
    C26 0.5597(5) 0.1534(5) 0.6989(4) 0.0978(18) Uani d . 1 . . C
    H26A 0.4744 0.1383 0.6674 0.147 Uiso calc R 1 . . H
    H26B 0.5964 0.0957 0.7315 0.147 Uiso calc R 1 . . H
    H26C 0.6147 0.1745 0.6513 0.147 Uiso calc R 1 . . H
    C27 1.0906(2) 0.4714(3) 0.62126(17) 0.0370(4) Uani d . 1 . . C
    C28 1.0786(3) 0.4918(3) 0.5229(2) 0.0510(8) Uani d . 1 . . C
    H28A 1.0049 0.4710 0.4833 0.061 Uiso calc R 1 . . H
    C29 1.1767(4) 0.5433(3) 0.4825(3) 0.0653(10) Uani d . 1 . . C
    H29A 1.1681 0.5572 0.4163 0.078 Uiso calc R 1 . . H
    C30 1.2860(4) 0.5736(3) 0.5409(3) 0.0654(10) Uani d . 1 . . C
    H30A 1.3515 0.6077 0.5141 0.079 Uiso calc R 1 . . H
    C31 1.2986(3) 0.5536(3) 0.6386(3) 0.0629(9) Uani d . 1 . . C
    H31A 1.3732 0.5735 0.6776 0.075 Uiso calc R 1 . . H
    C32 1.2002(3) 0.5035(2) 0.6795(2) 0.0487(7) Uani d . 1 . . C
    H32A 1.2082 0.4917 0.7461 0.058 Uiso calc R 1 . . H
    C33 0.7968(5) 0.5826(4) 1.0092(3) 0.0837(13) Uani d . 1 . . C
    H33A 0.7695 0.5668 1.0715 0.126 Uiso calc R 1 . . H
    H33B 0.7220 0.5995 0.9648 0.126 Uiso calc R 1 . . H
    H33C 0.8560 0.6374 1.0159 0.126 Uiso calc R 1 . . H
    C34 0.8612(4) 0.4988(3) 0.9726(2) 0.0718(13) Uani d . 1 . . C
    H34A 0.8027 0.4562 0.9379 0.086 Uiso calc R 1 . . H
    C35 0.9811(4) 0.4675(4) 0.9757(2) 0.0631(9) Uani d . 1 . . C
    H35A 1.0432 0.5047 1.0136 0.076 Uiso calc R 1 . . H
    C36 1.0282(4) 0.3867(3) 0.9302(2) 0.0562(8) Uani d . 1 . . C
    H36A 0.9668 0.3437 0.8992 0.067 Uiso calc R 1 . . H
    C37 1.1665(5) 0.3621(4) 0.9263(3) 0.0862(14) Uani d . 1 . . C
    H37A 1.2161 0.4216 0.9235 0.129 Uiso calc R 1 . . H
    H37B 1.1751 0.3231 0.8694 0.129 Uiso calc R 1 . . H
    H37C 1.1984 0.3254 0.9833 0.129 Uiso calc R 1 . . H
    P2 0.44253(11) 0.85731(8) 0.86591(7) 0.0659(3) Uani d . 1 . . P
    F1 0.5563(3) 0.7860(3) 0.9042(2) 0.1181(11) Uani d . 1 . . F
    F2 0.3303(5) 0.9273(4) 0.8246(3) 0.170(2) Uani d . 1 . . F
    F3 0.3517(4) 0.8114(4) 0.9332(3) 0.1529(17) Uani d . 1 . . F
    F4 0.3977(3) 0.7813(3) 0.7833(2) 0.1081(10) Uani d . 1 . . F
    F5 0.5362(5) 0.9007(4) 0.7938(3) 0.1480(15) Uani d . 1 . . F
    F6 0.4866(5) 0.9317(3) 0.9484(3) 0.1677(19) Uani d . 1 . . F
_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 C34 . 2.271(3) y
    Pd1 C35 . 2.155(3) y
    Pd1 C36 . 2.120(3) y
    Pd1 N1 . 2.125(2) y
    Pd1 P1 . 2.2864(7) y
    P1 C27 . 1.830(3) ?
    P1 C14 . 1.833(3) ?
    P1 C1 . 1.834(3) ?
    N1 C7 . 1.284(4) ?
    N1 C9 . 1.502(4) ?
    N2 C20 . 1.246(4) ?
    N2 C22 . 1.478(4) ?
    O1 C7 . 1.338(3) ?
    O1 C8 . 1.448(4) ?
    O2 C20 . 1.371(4) ?
    O2 C21 . 1.450(5) ?
    C1 C2 . 1.389(4) ?
    C1 C6 . 1.398(4) ?
    C2 C3 . 1.390(4) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.361(5) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.365(5) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.402(3) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.473(4) ?
    C8 C9 . 1.514(5) ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C10 . 1.540(6) ?
    C9 H9A . 0.9800 ?
    C10 C11 . 1.521(7) ?
    C10 C12 . 1.544(5) ?
    C10 C13 . 1.561(5) ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C13 H13A . 0.9600 ?
    C13 H13B . 0.9600 ?
    C13 H13C . 0.9600 ?
    C14 C19 . 1.395(4) ?
    C14 C15 . 1.404(4) ?
    C15 C16 . 1.389(4) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.365(5) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.378(5) ?
    C17 H17A . 0.9300 ?
    C18 C19 . 1.408(4) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.461(4) ?
    C21 C22 . 1.517(5) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 C23 . 1.530(4) ?
    C22 H22A . 0.9800 ?
    C23 C24 . 1.502(6) ?
    C23 C25 . 1.523(4) ?
    C23 C26 . 1.545(6) ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    C25 H25A . 0.9600 ?
    C25 H25B . 0.9600 ?
    C25 H25C . 0.9600 ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 0.9600 ?
    C27 C28 . 1.382(4) ?
    C27 C32 . 1.384(4) ?
    C28 C29 . 1.397(5) ?
    C28 H28A . 0.9300 ?
    C29 C30 . 1.376(6) ?
    C29 H29A . 0.9300 ?
    C30 C31 . 1.371(6) ?
    C30 H30A . 0.9300 ?
    C31 C32 . 1.393(4) ?
    C31 H31A . 0.9300 ?
    C32 H32A . 0.9300 ?
    C33 C34 . 1.438(6) ?
    C33 H33A . 0.9600 ?
    C33 H33B . 0.9600 ?
    C33 H33C . 0.9600 ?
    C34 C35 . 1.304(5) ?
    C34 H34A . 0.9300 ?
    C35 C36 . 1.380(5) ?
    C35 H35A . 0.9300 ?
    C36 C37 . 1.472(6) ?
    C36 H36A . 0.9300 ?
    C37 H37A . 0.9600 ?
    C37 H37B . 0.9600 ?
    C37 H37C . 0.9600 ?
    P2 F3 . 1.526(4) ?
    P2 F6 . 1.555(4) ?
    P2 F2 . 1.557(4) ?
    P2 F1 . 1.568(3) ?
    P2 F4 . 1.572(3) ?
    P2 F5 . 1.578(4) ?
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    Pd1 N2 3.108(3) . . n
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
    C34 Pd1 P1 . . 163.33(12) y
    C35 Pd1 P1 . . 139.69(10) y
    C35 Pd1 C34 . . 34.13(13) y
    C36 Pd1 C34 . . 66.73(14) y
    C36 Pd1 C35 . . 37.64(14) y
    C36 Pd1 N1 . . 169.75(11) y
    C36 Pd1 P1 . . 102.81(10) y
    N1 Pd1 C35 . . 132.15(13) y
    N1 Pd1 C34 . . 104.20(12) y
    N1 Pd1 P1 . . 87.10(6) y
    C27 P1 C14 . . 102.72(14) ?
    C27 P1 C1 . . 102.70(11) ?
    C14 P1 C1 . . 104.82(12) ?
    C27 P1 Pd1 . . 112.69(10) ?
    C14 P1 Pd1 . . 122.01(9) ?
    C1 P1 Pd1 . . 109.94(8) ?
    C7 N1 C9 . . 107.0(2) ?
    C7 N1 Pd1 . . 129.15(19) ?
    C9 N1 Pd1 . . 123.8(2) ?
    C20 N2 C22 . . 108.0(3) ?
    C7 O1 C8 . . 106.1(2) ?
    C20 O2 C21 . . 105.1(3) ?
    C2 C1 C6 . . 118.6(2) ?
    C2 C1 P1 . . 119.3(2) ?
    C6 C1 P1 . . 122.0(2) ?
    C1 C2 C3 . . 121.3(3) ?
    C1 C2 H2A . . 119.4 ?
    C3 C2 H2A . . 119.4 ?
    C4 C3 C2 . . 120.0(3) ?
    C4 C3 H3A . . 120.0 ?
    C2 C3 H3A . . 120.0 ?
    C3 C4 C5 . . 119.7(3) ?
    C3 C4 H4A . . 120.1 ?
    C5 C4 H4A . . 120.1 ?
    C4 C5 C6 . . 121.9(3) ?
    C4 C5 H5A . . 119.0 ?
    C6 C5 H5A . . 119.0 ?
    C1 C6 C5 . . 118.4(3) ?
    C1 C6 C7 . . 124.9(2) ?
    C5 C6 C7 . . 116.6(3) ?
    N1 C7 O1 . . 116.8(2) ?
    N1 C7 C6 . . 129.4(2) ?
    O1 C7 C6 . . 113.8(2) ?
    O1 C8 C9 . . 104.5(3) ?
    O1 C8 H8A . . 110.8 ?
    C9 C8 H8A . . 110.8 ?
    O1 C8 H8B . . 110.8 ?
    C9 C8 H8B . . 110.8 ?
    H8A C8 H8B . . 108.9 ?
    N1 C9 C8 . . 101.6(3) ?
    N1 C9 C10 . . 112.6(3) ?
    C8 C9 C10 . . 116.0(3) ?
    N1 C9 H9A . . 108.8 ?
    C8 C9 H9A . . 108.8 ?
    C10 C9 H9A . . 108.8 ?
    C11 C10 C9 . . 111.2(3) ?
    C11 C10 C12 . . 110.1(4) ?
    C9 C10 C12 . . 111.3(3) ?
    C11 C10 C13 . . 108.4(4) ?
    C9 C10 C13 . . 106.5(4) ?
    C12 C10 C13 . . 109.2(3) ?
    C10 C11 H11A . . 109.5 ?
    C10 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    C10 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    C10 C12 H12A . . 109.5 ?
    C10 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C10 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C10 C13 H13A . . 109.5 ?
    C10 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C10 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C19 C14 C15 . . 118.0(3) ?
    C19 C14 P1 . . 122.9(2) ?
    C15 C14 P1 . . 118.9(2) ?
    C16 C15 C14 . . 121.4(3) ?
    C16 C15 H15A . . 119.3 ?
    C14 C15 H15A . . 119.3 ?
    C17 C16 C15 . . 120.0(3) ?
    C17 C16 H16A . . 120.0 ?
    C15 C16 H16A . . 120.0 ?
    C16 C17 C18 . . 119.9(3) ?
    C16 C17 H17A . . 120.0 ?
    C18 C17 H17A . . 120.0 ?
    C17 C18 C19 . . 120.9(3) ?
    C17 C18 H18A . . 119.5 ?
    C19 C18 H18A . . 119.5 ?
    C14 C19 C18 . . 119.5(3) ?
    C14 C19 C20 . . 122.4(3) ?
    C18 C19 C20 . . 118.0(3) ?
    N2 C20 O2 . . 118.0(3) ?
    N2 C20 C19 . . 126.3(3) ?
    O2 C20 C19 . . 115.7(3) ?
    O2 C21 C22 . . 105.1(3) ?
    O2 C21 H21A . . 110.7 ?
    C22 C21 H21A . . 110.7 ?
    O2 C21 H21B . . 110.7 ?
    C22 C21 H21B . . 110.7 ?
    H21A C21 H21B . . 108.8 ?
    N2 C22 C21 . . 103.6(3) ?
    N2 C22 C23 . . 111.8(3) ?
    C21 C22 C23 . . 116.1(3) ?
    N2 C22 H22A . . 108.3 ?
    C21 C22 H22A . . 108.3 ?
    C23 C22 H22A . . 108.3 ?
    C24 C23 C25 . . 108.9(3) ?
    C24 C23 C22 . . 109.7(3) ?
    C25 C23 C22 . . 110.0(3) ?
    C24 C23 C26 . . 109.0(4) ?
    C25 C23 C26 . . 110.1(4) ?
    C22 C23 C26 . . 109.2(3) ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C23 C25 H25A . . 109.5 ?
    C23 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C23 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    C23 C26 H26A . . 109.5 ?
    C23 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C23 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    C28 C27 C32 . . 119.3(3) ?
    C28 C27 P1 . . 123.7(2) ?
    C32 C27 P1 . . 117.0(2) ?
    C27 C28 C29 . . 120.3(3) ?
    C27 C28 H28A . . 119.9 ?
    C29 C28 H28A . . 119.9 ?
    C30 C29 C28 . . 119.8(3) ?
    C30 C29 H29A . . 120.1 ?
    C28 C29 H29A . . 120.1 ?
    C31 C30 C29 . . 120.2(3) ?
    C31 C30 H30A . . 119.9 ?
    C29 C30 H30A . . 119.9 ?
    C30 C31 C32 . . 120.2(4) ?
    C30 C31 H31A . . 119.9 ?
    C32 C31 H31A . . 119.9 ?
    C27 C32 C31 . . 120.1(3) ?
    C27 C32 H32A . . 119.9 ?
    C31 C32 H32A . . 119.9 ?
    C34 C33 H33A . . 109.5 ?
    C34 C33 H33B . . 109.5 ?
    H33A C33 H33B . . 109.5 ?
    C34 C33 H33C . . 109.5 ?
    H33A C33 H33C . . 109.5 ?
    H33B C33 H33C . . 109.5 ?
    C35 C34 C33 . . 136.0(5) ?
    C35 C34 Pd1 . . 68.06(18) ?
    C33 C34 Pd1 . . 128.9(3) ?
    C35 C34 H34A . . 112.0 ?
    C33 C34 H34A . . 112.0 ?
    Pd1 C34 H34A . . 70.1 ?
    C34 C35 C36 . . 128.6(4) ?
    C34 C35 Pd1 . . 77.81(19) ?
    C36 C35 Pd1 . . 69.81(17) ?
    C34 C35 H35A . . 115.7 ?
    C36 C35 H35A . . 115.7 ?
    Pd1 C35 H35A . . 129.9 ?
    C35 C36 C37 . . 126.1(4) ?
    C35 C36 Pd1 . . 72.55(18) ?
    C37 C36 Pd1 . . 122.0(3) ?
    C35 C36 H36A . . 117.0 ?
    C37 C36 H36A . . 117.0 ?
    Pd1 C36 H36A . . 75.3 ?
    C36 C37 H37A . . 109.5 ?
    C36 C37 H37B . . 109.5 ?
    H37A C37 H37B . . 109.5 ?
    C36 C37 H37C . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    F3 P2 F6 . . 88.1(3) ?
    F3 P2 F2 . . 89.5(3) ?
    F6 P2 F2 . . 91.1(3) ?
    F3 P2 F1 . . 91.6(3) ?
    F6 P2 F1 . . 90.3(2) ?
    F2 P2 F1 . . 178.2(2) ?
    F3 P2 F4 . . 91.4(2) ?
    F6 P2 F4 . . 179.4(3) ?
    F2 P2 F4 . . 89.2(2) ?
    F1 P2 F4 . . 89.42(19) ?
    F3 P2 F5 . . 177.6(3) ?
    F6 P2 F5 . . 94.1(3) ?
    F2 P2 F5 . . 91.3(3) ?
    F1 P2 F5 . . 87.5(2) ?
    F4 P2 F5 . . 86.4(2) ?
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 P1 C14 C19 . . . . 38.6(3) y
    Pd1 N1 C9 C10 . . . . 73.1(3) y
    C14 C19 C20 N2 . . . . 17.4(5) y
data_II
_chemical_name_systematic     ?
_chemical_name_common     ?
_chemical_formula_moiety     'C32 H37 Cl2 N2 O2 P Pd'
_chemical_formula_sum     'C32 H37 Cl2 N2 O2 P Pd'
_chemical_formula_iupac     '[Pd Cl2 (C32 H37 N2 O2 P)]'
_chemical_formula_weight     689.91
_chemical_melting_point     ?
_symmetry_cell_setting     'Orthorhombic'
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab '
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
_cell_length_a     10.2172(13)
_cell_length_b     13.3580(18)
_cell_length_c     22.858(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     3119.7(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     982
_cell_measurement_theta_min     1.76
_cell_measurement_theta_max     27.42
_cell_measurement_temperature     83(2)
_cell_special_details
;
?
;
_exptl_crystal_description     'block'
_exptl_crystal_colour     'orange'
_exptl_crystal_size_max     0.1
_exptl_crystal_size_mid     0.05
_exptl_crystal_size_min     0.05
_exptl_crystal_size_rad     ?
_exptl_crystal_density_diffrn     1.469
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1416
_exptl_absorpt_coefficient_mu     0.849
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ' '
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     83(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     66
_diffrn_reflns_number     20046
_diffrn_reflns_av_R_equivalents     0.0408
_diffrn_reflns_av_sigmaI/netI     0.0645
_diffrn_reflns_theta_min     1.77
_diffrn_reflns_theta_max     27.94
_diffrn_reflns_theta_full     27.94
_diffrn_measured_fraction_theta_max     0.984
_diffrn_measured_fraction_theta_full     0.984
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     29
_diffrn_standards_number     129
_diffrn_standards_interval_time     635
_diffrn_standards_decay_%     0.01
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     7214
_reflns_number_gt     6600
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0422
_refine_ls_R_factor_gt     0.0360
_refine_ls_wR_factor_gt     0.0723
_refine_ls_wR_factor_ref     0.0913
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_restrained_S_all     1.050
_refine_ls_number_reflns     7214
_refine_ls_number_parameters     369
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0419P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.757
_refine_diff_density_min     -0.615
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 3090 Friedel pairs'
_refine_ls_abs_structure_Flack     0.00(3)
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'
    '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'
    'P' 'P' 0.1023 0.0942
                         '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'
    'Pd' 'Pd' -0.9988 1.0072
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material     'SHELXTL'
loop_
    _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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Pd1 0.86830(3) 0.82456(2) 0.139380(13) 0.01196(8) Uani d . 1 . . Pd
    Cl1 1.01588(10) 0.77328(8) 0.06486(5) 0.0205(2) Uani d . 1 . . Cl
    Cl2 1.02228(10) 0.92498(8) 0.18350(5) 0.0199(2) Uani d . 1 . . Cl
    P1 0.71404(10) 0.89032(8) 0.19578(5) 0.0116(2) Uani d . 1 . . P
    N1 0.7350(3) 0.7217(2) 0.11079(14) 0.0132(7) Uani d . 1 . . N
    O1 0.5497(3) 0.6505(2) 0.07988(13) 0.0178(7) Uani d . 1 . . O
    N2 0.7715(4) 1.0187(3) 0.09724(15) 0.0176(8) Uani d . 1 . . N
    O2 0.9151(3) 1.1463(2) 0.10798(13) 0.0245(8) Uani d . 1 . . O
    C1 0.5573(4) 0.8897(3) 0.15790(17) 0.0125(8) Uani d . 1 . . C
    C2 0.4648(4) 0.9629(3) 0.17109(19) 0.0161(9) Uani d . 1 . . C
    H2A 0.4857 1.0134 0.1975 0.019 Uiso calc R 1 . . H
    C3 0.3425(4) 0.9613(3) 0.14547(19) 0.0175(9) Uani d . 1 . . C
    H3A 0.2808 1.0094 0.1558 0.021 Uiso calc R 1 . . H
    C4 0.3109(4) 0.8890(3) 0.10481(19) 0.0177(9) Uani d . 1 . . C
    H4A 0.2289 0.8895 0.0871 0.021 Uiso calc R 1 . . H
    C5 0.4006(4) 0.8161(3) 0.09032(18) 0.0168(9) Uani d . 1 . . C
    H5A 0.3791 0.7678 0.0626 0.020 Uiso calc R 1 . . H
    C6 0.5245(4) 0.8143(3) 0.11728(17) 0.0139(8) Uani d . 1 . . C
    C7 0.6106(4) 0.7302(3) 0.10323(17) 0.0141(8) Uani d . 1 . . C
    C8 0.6529(4) 0.5840(3) 0.06001(19) 0.0195(9) Uani d . 1 . . C
    H8A 0.6675 0.5914 0.0183 0.023 Uiso calc R 1 . . H
    H8B 0.6311 0.5147 0.0683 0.023 Uiso calc R 1 . . H
    C9 0.7729(4) 0.6166(3) 0.09461(19) 0.0165(9) Uani d . 1 . . C
    H9A 0.8599 0.6196 0.0688 0.017(11) Uiso d R 1 . . H
    C10 0.8070(4) 0.5503(3) 0.1482(2) 0.0192(10) Uani d . 1 . . C
    C11 0.9277(4) 0.5913(3) 0.1798(2) 0.0255(11) Uani d . 1 . . C
    H11A 0.9077 0.6557 0.1961 0.038 Uiso calc R 1 . . H
    H11B 0.9985 0.5978 0.1524 0.038 Uiso calc R 1 . . H
    H11C 0.9526 0.5463 0.2105 0.038 Uiso calc R 1 . . H
    C12 0.6922(5) 0.5431(4) 0.1911(2) 0.0279(11) Uani d . 1 . . C
    H12A 0.7155 0.4998 0.2230 0.042 Uiso calc R 1 . . H
    H12B 0.6171 0.5165 0.1713 0.042 Uiso calc R 1 . . H
    H12C 0.6722 0.6086 0.2060 0.042 Uiso calc R 1 . . H
    C13 0.8395(5) 0.4446(3) 0.1252(2) 0.0301(12) Uani d . 1 . . C
    H13A 0.9036 0.4494 0.0946 0.045 Uiso calc R 1 . . H
    H13B 0.7615 0.4140 0.1102 0.045 Uiso calc R 1 . . H
    H13C 0.8737 0.4046 0.1566 0.045 Uiso calc R 1 . . H
    C14 0.7333(4) 1.0177(3) 0.22476(18) 0.0118(8) Uani d . 1 . . C
    C15 0.6984(4) 1.0363(3) 0.28255(18) 0.0149(9) Uani d . 1 . . C
    H15A 0.6622 0.9848 0.3046 0.018 Uiso calc R 1 . . H
    C16 0.7161(4) 1.1293(3) 0.30810(18) 0.0178(9) Uani d . 1 . . C
    H16A 0.6888 1.1403 0.3464 0.021 Uiso calc R 1 . . H
    C17 0.7743(4) 1.2060(3) 0.2767(2) 0.0201(10) Uani d . 1 . . C
    H17A 0.7897 1.2678 0.2941 0.024 Uiso calc R 1 . . H
    C18 0.8094(4) 1.1892(3) 0.21883(19) 0.0178(9) Uani d . 1 . . C
    H18A 0.8482 1.2405 0.1975 0.021 Uiso calc R 1 . . H
    C19 0.7877(4) 1.0971(3) 0.19215(18) 0.0147(9) Uani d . 1 . . C
    C20 0.8216(4) 1.0836(3) 0.13020(18) 0.0159(9) Uani d . 1 . . C
    C21 0.9397(5) 1.1090(4) 0.0492(2) 0.0336(12) Uani d . 1 . . C
    H21A 1.0271 1.0812 0.0462 0.040 Uiso calc R 1 . . H
    H21B 0.9303 1.1621 0.0206 0.040 Uiso calc R 1 . . H
    C22 0.8358(4) 1.0275(3) 0.03976(19) 0.0201(10) Uani d . 1 . . C
    H22A 0.8811 0.9593 0.0274 0.024(12) Uiso d R 1 . . H
    C23 0.7349(5) 1.0481(3) -0.00901(19) 0.0201(10) Uani d . 1 . . C
    C24 0.6383(6) 0.9617(4) -0.0099(2) 0.0406(14) Uani d . 1 . . C
    H24A 0.5829 0.9655 0.0240 0.061 Uiso calc R 1 . . H
    H24B 0.6853 0.8995 -0.0095 0.061 Uiso calc R 1 . . H
    H24C 0.5857 0.9656 -0.0446 0.061 Uiso calc R 1 . . H
    C25 0.8070(5) 1.0517(4) -0.0674(2) 0.0303(11) Uani d . 1 . . C
    H25A 0.7448 1.0593 -0.0986 0.045 Uiso calc R 1 . . H
    H25B 0.8552 0.9907 -0.0728 0.045 Uiso calc R 1 . . H
    H25C 0.8664 1.1074 -0.0676 0.045 Uiso calc R 1 . . H
    C26 0.6635(5) 1.1471(4) 0.0008(2) 0.0322(13) Uani d . 1 . . C
    H26A 0.6001 1.1569 -0.0296 0.048 Uiso calc R 1 . . H
    H26B 0.7255 1.2010 0.0003 0.048 Uiso calc R 1 . . H
    H26C 0.6200 1.1455 0.0381 0.048 Uiso calc R 1 . . H
    C27 0.6854(4) 0.8154(3) 0.26160(17) 0.0138(8) Uani d . 1 . . C
    C28 0.5599(4) 0.7911(3) 0.28120(19) 0.0185(9) Uani d . 1 . . C
    H28A 0.4868 0.8111 0.2599 0.022 Uiso calc R 1 . . H
    C29 0.5450(4) 0.7370(3) 0.33267(19) 0.0210(10) Uani d . 1 . . C
    H29A 0.4616 0.7209 0.3460 0.025 Uiso calc R 1 . . H
    C30 0.6537(5) 0.7070(3) 0.3641(2) 0.0258(10) Uani d . 1 . . C
    H30A 0.6430 0.6712 0.3987 0.031 Uiso calc R 1 . . H
    C31 0.7782(5) 0.7297(3) 0.34453(19) 0.0236(10) Uani d . 1 . . C
    H31A 0.8511 0.7091 0.3658 0.028 Uiso calc R 1 . . H
    C32 0.7941(4) 0.7835(3) 0.29300(19) 0.0185(9) Uani d . 1 . . C
    H32A 0.8777 0.7983 0.2795 0.022 Uiso calc R 1 . . H
_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 N1 . 2.042(3) y
    Pd1 P1 . 2.2177(11) y
    Pd1 Cl1 . 2.3758(11) y
    Pd1 Cl2 . 2.3004(11) y
    P1 C1 . 1.820(4) ?
    P1 C27 . 1.831(4) ?
    P1 C14 . 1.837(4) ?
    N1 C7 . 1.288(5) ?
    N1 C9 . 1.502(5) ?
    O1 C7 . 1.344(5) ?
    O1 C8 . 1.452(5) ?
    N2 C20 . 1.257(5) ?
    N2 C22 . 1.474(5) ?
    O2 C20 . 1.369(5) ?
    O2 C21 . 1.454(5) ?
    C1 C2 . 1.393(6) ?
    C1 C6 . 1.410(6) ?
    C2 C3 . 1.381(5) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.378(6) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.378(6) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.408(5) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.463(6) ?
    C8 C9 . 1.523(6) ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C10 . 1.553(6) ?
    C9 H9A . 1.0679 ?
    C10 C11 . 1.530(6) ?
    C10 C12 . 1.531(6) ?
    C10 C13 . 1.543(6) ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C13 H13A . 0.9600 ?
    C13 H13B . 0.9600 ?
    C13 H13C . 0.9600 ?
    C14 C15 . 1.390(6) ?
    C14 C19 . 1.410(5) ?
    C15 C16 . 1.385(6) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.384(6) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.390(6) ?
    C17 H17A . 0.9300 ?
    C18 C19 . 1.390(6) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.469(6) ?
    C21 C22 . 1.535(6) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 C23 . 1.543(6) ?
    C22 H22A . 1.0608 ?
    C23 C24 . 1.518(7) ?
    C23 C25 . 1.525(6) ?
    C23 C26 . 1.527(6) ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    C25 H25A . 0.9600 ?
    C25 H25B . 0.9600 ?
    C25 H25C . 0.9600 ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 0.9600 ?
    C27 C32 . 1.389(6) ?
    C27 C28 . 1.397(5) ?
    C28 C29 . 1.389(6) ?
    C28 H28A . 0.9300 ?
    C29 C30 . 1.382(6) ?
    C29 H29A . 0.9300 ?
    C30 C31 . 1.382(6) ?
    C30 H30A . 0.9300 ?
    C31 C32 . 1.389(6) ?
    C31 H31A . 0.9300 ?
    C32 H32A . 0.9300 ?
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    Pd1 N2 2.938(4) . . n
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
    Cl1 Pd1 Cl2 . . 92.77(4) y
    N1 Pd1 Cl1 . . 89.99(10) y
    N1 Pd1 Cl2 . . 171.42(10) y
    N1 Pd1 P1 . . 88.77(10) y
    P1 Pd1 Cl1 . . 169.14(4) y
    P1 Pd1 Cl2 . . 90.01(4) y
    C1 P1 C27 . . 104.36(18) ?
    C1 P1 C14 . . 105.66(19) ?
    C27 P1 C14 . . 103.15(18) ?
    C1 P1 Pd1 . . 110.29(14) ?
    C27 P1 Pd1 . . 112.00(14) ?
    C14 P1 Pd1 . . 120.04(13) ?
    C7 N1 C9 . . 107.7(3) ?
    C7 N1 Pd1 . . 129.9(3) ?
    C9 N1 Pd1 . . 122.4(3) ?
    C7 O1 C8 . . 105.8(3) ?
    C20 N2 C22 . . 107.3(4) ?
    C20 O2 C21 . . 104.7(3) ?
    C2 C1 C6 . . 118.8(4) ?
    C2 C1 P1 . . 119.4(3) ?
    C6 C1 P1 . . 121.7(3) ?
    C3 C2 C1 . . 120.8(4) ?
    C3 C2 H2A . . 119.6 ?
    C1 C2 H2A . . 119.6 ?
    C4 C3 C2 . . 120.6(4) ?
    C4 C3 H3A . . 119.7 ?
    C2 C3 H3A . . 119.7 ?
    C5 C4 C3 . . 120.1(4) ?
    C5 C4 H4A . . 119.9 ?
    C3 C4 H4A . . 119.9 ?
    C4 C5 C6 . . 120.3(4) ?
    C4 C5 H5A . . 119.9 ?
    C6 C5 H5A . . 119.9 ?
    C5 C6 C1 . . 119.4(4) ?
    C5 C6 C7 . . 117.2(4) ?
    C1 C6 C7 . . 123.3(4) ?
    N1 C7 O1 . . 116.1(4) ?
    N1 C7 C6 . . 129.2(4) ?
    O1 C7 C6 . . 114.7(3) ?
    O1 C8 C9 . . 104.3(3) ?
    O1 C8 H8A . . 110.9 ?
    C9 C8 H8A . . 110.9 ?
    O1 C8 H8B . . 110.9 ?
    C9 C8 H8B . . 110.9 ?
    H8A C8 H8B . . 108.9 ?
    N1 C9 C8 . . 100.8(3) ?
    N1 C9 C10 . . 113.4(3) ?
    C8 C9 C10 . . 115.3(3) ?
    N1 C9 H9A . . 108.5 ?
    C8 C9 H9A . . 113.2 ?
    C10 C9 H9A . . 105.7 ?
    C11 C10 C12 . . 109.8(4) ?
    C11 C10 C13 . . 108.4(4) ?
    C12 C10 C13 . . 109.0(4) ?
    C11 C10 C9 . . 110.4(3) ?
    C12 C10 C9 . . 111.7(4) ?
    C13 C10 C9 . . 107.6(4) ?
    C10 C11 H11A . . 109.5 ?
    C10 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    C10 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    C10 C12 H12A . . 109.5 ?
    C10 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C10 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C10 C13 H13A . . 109.5 ?
    C10 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C10 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C15 C14 C19 . . 118.0(4) ?
    C15 C14 P1 . . 118.7(3) ?
    C19 C14 P1 . . 123.2(3) ?
    C16 C15 C14 . . 121.8(4) ?
    C16 C15 H15A . . 119.1 ?
    C14 C15 H15A . . 119.1 ?
    C17 C16 C15 . . 120.1(4) ?
    C17 C16 H16A . . 120.0 ?
    C15 C16 H16A . . 120.0 ?
    C16 C17 C18 . . 119.0(4) ?
    C16 C17 H17A . . 120.5 ?
    C18 C17 H17A . . 120.5 ?
    C17 C18 C19 . . 121.3(4) ?
    C17 C18 H18A . . 119.3 ?
    C19 C18 H18A . . 119.3 ?
    C18 C19 C14 . . 119.7(4) ?
    C18 C19 C20 . . 119.6(4) ?
    C14 C19 C20 . . 120.7(4) ?
    N2 C20 O2 . . 118.9(4) ?
    N2 C20 C19 . . 124.5(4) ?
    O2 C20 C19 . . 116.6(4) ?
    O2 C21 C22 . . 104.7(4) ?
    O2 C21 H21A . . 110.8 ?
    C22 C21 H21A . . 110.8 ?
    O2 C21 H21B . . 110.8 ?
    C22 C21 H21B . . 110.8 ?
    H21A C21 H21B . . 108.9 ?
    N2 C22 C21 . . 103.8(3) ?
    N2 C22 C23 . . 111.1(3) ?
    C21 C22 C23 . . 115.9(4) ?
    N2 C22 H22A . . 111.3 ?
    C21 C22 H22A . . 110.2 ?
    C23 C22 H22A . . 104.6 ?
    C24 C23 C25 . . 109.1(4) ?
    C24 C23 C26 . . 110.5(4) ?
    C25 C23 C26 . . 109.4(4) ?
    C24 C23 C22 . . 108.0(4) ?
    C25 C23 C22 . . 108.4(4) ?
    C26 C23 C22 . . 111.5(4) ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C23 C25 H25A . . 109.5 ?
    C23 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C23 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    C23 C26 H26A . . 109.5 ?
    C23 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C23 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    C32 C27 C28 . . 119.8(4) ?
    C32 C27 P1 . . 117.7(3) ?
    C28 C27 P1 . . 122.5(3) ?
    C29 C28 C27 . . 119.5(4) ?
    C29 C28 H28A . . 120.2 ?
    C27 C28 H28A . . 120.2 ?
    C30 C29 C28 . . 120.2(4) ?
    C30 C29 H29A . . 119.9 ?
    C28 C29 H29A . . 119.9 ?
    C31 C30 C29 . . 120.5(4) ?
    C31 C30 H30A . . 119.7 ?
    C29 C30 H30A . . 119.7 ?
    C30 C31 C32 . . 119.7(4) ?
    C30 C31 H31A . . 120.2 ?
    C32 C31 H31A . . 120.2 ?
    C27 C32 C31 . . 120.2(4) ?
    C27 C32 H32A . . 119.9 ?
    C31 C32 H32A . . 119.9 ?
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 C9 C10 . . . . 72.7(4) y
    Pd1 P1 C14 C19 . . . . 38.8(4) y
