##############################################################################
#                                                                            #
# 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 # 
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data_general
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2011-09-05
_journal_date_accepted     2011-09-08
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue     10
_journal_page_first     m1383
_journal_page_last     m1384
_journal_paper_category     QM
_journal_coeditor_code     HB6399
_publ_contact_author_name     ' Edward R.T. Tiekink '
_publ_contact_author_address
;
Department of Chemistry, University of Malaya,
50603 Kuala Lumpur, Malaysia
;
_publ_contact_author_email
;
Edward.Tiekink@gmail.com
;
_publ_contact_author_fax     ' +60 3 7967 4193 '
_publ_contact_author_phone     ' +60 3 7967 4204 '
_publ_section_title
;\
Bis{2-[(E)-(5-tert-butyl-2-hydroxyphenyl)diazenyl]benzoato}\
dimethyltin(IV)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Basu Baul, Tushar S.'
;
 Additional correspondence author, e-mail: basubaul@hotmail.com.
;
;
Department of Chemistry, North-Eastern Hill University,
NEHU Permanent Campus, Umshing, Shillong 793 022, India
;
    'Paul, Anup' .
;
Department of Chemistry, North-Eastern Hill University,
NEHU Permanent Campus, Umshing, Shillong 793 022, India
;
    'Tiekink, Edward R. T.' .
;
Department of Chemistry, University of Malaya,
50603 Kuala Lumpur, Malaysia
;
_publ_section_synopsis     .
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis{2-[(E)-(5-tert-butyl-2-hydroxyphenyl)diazenyl]benzoato}\
dimethyltin(IV)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H40 N4 O6 Sn'
_chemical_formula_sum     'C36 H40 N4 O6 Sn'
_chemical_formula_iupac     '[Sn (C H3)2 (C17 H17 N2 O3)2]'
_chemical_formula_weight     743.43
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.62980(10)
_cell_length_b     31.8788(4)
_cell_length_c     11.09630(10)
_cell_angle_alpha     90
_cell_angle_beta     93.5020(10)
_cell_angle_gamma     90
_cell_volume     3400.05(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9596
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     100(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.36
_exptl_crystal_size_mid     0.13
_exptl_crystal_size_min     0.03
_exptl_crystal_density_diffrn     1.452
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1528
_exptl_absorpt_coefficient_mu     0.803
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.895
_exptl_absorpt_correction_T_max     1
_exptl_special_details     ?
_diffrn_ambient_temperature     100(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 APEXII'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     26762
_diffrn_reflns_av_R_equivalents     0.031
_diffrn_reflns_av_sigmaI/netI     0.039
_diffrn_reflns_theta_min     2.0
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -41
_diffrn_reflns_limit_k_max     31
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_decay_%     '<1'
_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 >
2σ(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     7749
_reflns_number_gt     6165
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.050
_refine_ls_R_factor_gt     0.033
_refine_ls_wR_factor_gt     0.065
_refine_ls_wR_factor_ref     0.071
_refine_ls_goodness_of_fit_ref     1.04
_refine_ls_restrained_S_all     1.04
_refine_ls_number_reflns     7749
_refine_ls_number_parameters     434
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0302P)²+2.0032P] 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     0.55
_refine_diff_density_min     -0.41
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0030 0.0020
                         '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' 0.0060 0.0030
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0110 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Sn' 'Sn' -0.6540 1.4250
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2007)'
_computing_cell_refinement     'SAINT (Bruker, 2007)'
_computing_data_reduction     'SAINT (Bruker, 2007)'
_computing_structure_solution     'SHELXS86 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                      'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
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_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sn Sn 0.277358(16) 0.493245(5) 0.417857(14) 0.01732(5) Uani d . 1 1 . .
    O O1 0.23555(16) 0.45124(6) 0.55829(14) 0.0217(4) Uani d . 1 1 . .
    O O2 0.45495(17) 0.46778(6) 0.60060(14) 0.0216(4) Uani d . 1 1 . .
    O O3 0.08900(17) 0.37965(6) 0.40295(14) 0.0236(4) Uani d . 1 1 . .
    H H3 0.1412 0.3856 0.4639 0.035 Uiso calc R 1 1 . .
    O O4 0.06960(16) 0.47867(6) 0.36115(14) 0.0214(4) Uani d . 1 1 . .
    O O5 0.16032(17) 0.52164(6) 0.23347(14) 0.0217(4) Uani d . 1 1 . .
    O O6 0.18551(16) 0.60409(6) 0.13158(15) 0.0216(4) Uani d . 1 1 . .
    H H6 0.1378 0.5823 0.1394 0.032 Uiso calc R 1 1 . .
    N N1 0.15350(19) 0.37784(6) 0.63135(17) 0.0165(4) Uani d . 1 1 . .
    N N2 0.03907(19) 0.36266(6) 0.65957(17) 0.0175(4) Uani d . 1 1 . .
    N N3 -0.0403(2) 0.55980(6) 0.08342(16) 0.0180(4) Uani d . 1 1 . .
    N N4 -0.0860(2) 0.58421(7) 0.00045(16) 0.0177(4) Uani d . 1 1 . .
    C C1 0.3515(2) 0.44669(8) 0.6217(2) 0.0180(5) Uani d . 1 1 . .
    C C2 0.3565(2) 0.41453(8) 0.71981(19) 0.0163(5) Uani d . 1 1 . .
    C C3 0.2554(2) 0.38306(8) 0.72847(19) 0.0157(5) Uani d . 1 1 . .
    C C4 0.2650(2) 0.35474(8) 0.8236(2) 0.0187(5) Uani d . 1 1 . .
    H H4 0.1963 0.3336 0.8294 0.022 Uiso calc R 1 1 . .
    C C5 0.3747(2) 0.35728(8) 0.9100(2) 0.0213(5) Uani d . 1 1 . .
    H H5 0.3800 0.3382 0.9758 0.026 Uiso calc R 1 1 . .
    C C6 0.4769(2) 0.38759(8) 0.9010(2) 0.0219(5) Uani d . 1 1 . .
    H H6A 0.5530 0.3889 0.9596 0.026 Uiso calc R 1 1 . .
    C C7 0.4674(2) 0.41596(8) 0.8063(2) 0.0192(5) Uani d . 1 1 . .
    H H7 0.5375 0.4367 0.8003 0.023 Uiso calc R 1 1 . .
    C C8 -0.0562(2) 0.35492(8) 0.5600(2) 0.0164(5) Uani d . 1 1 . .
    C C9 -0.0301(2) 0.36295(8) 0.4384(2) 0.0176(5) Uani d . 1 1 . .
    C C10 -0.1336(2) 0.35283(8) 0.3498(2) 0.0200(5) Uani d . 1 1 . .
    H H10 -0.1185 0.3579 0.2673 0.024 Uiso calc R 1 1 . .
    C C11 -0.2576(2) 0.33549(8) 0.3808(2) 0.0208(5) Uani d . 1 1 . .
    H H11 -0.3260 0.3287 0.3186 0.025 Uiso calc R 1 1 . .
    C C12 -0.2865(2) 0.32747(8) 0.5013(2) 0.0180(5) Uani d . 1 1 . .
    C C13 -0.1839(2) 0.33798(8) 0.5883(2) 0.0185(5) Uani d . 1 1 . .
    H H13 -0.2009 0.3335 0.6707 0.022 Uiso calc R 1 1 . .
    C C14 -0.4276(2) 0.30919(8) 0.5294(2) 0.0210(5) Uani d . 1 1 . .
    C C15 -0.4387(3) 0.30246(10) 0.6645(2) 0.0301(6) Uani d . 1 1 . .
    H H15A -0.5312 0.2915 0.6793 0.045 Uiso calc R 1 1 . .
    H H15B -0.4242 0.3292 0.7069 0.045 Uiso calc R 1 1 . .
    H H15C -0.3677 0.2823 0.6942 0.045 Uiso calc R 1 1 . .
    C C16 -0.4500(3) 0.26688(9) 0.4652(3) 0.0303(6) Uani d . 1 1 . .
    H H16A -0.3785 0.2470 0.4956 0.046 Uiso calc R 1 1 . .
    H H16B -0.4435 0.2707 0.3781 0.046 Uiso calc R 1 1 . .
    H H16C -0.5422 0.2559 0.4810 0.046 Uiso calc R 1 1 . .
    C C17 -0.5426(3) 0.33979(9) 0.4843(2) 0.0246(6) Uani d . 1 1 . .
    H H17A -0.6334 0.3287 0.5038 0.037 Uiso calc R 1 1 . .
    H H17B -0.5403 0.3432 0.3967 0.037 Uiso calc R 1 1 . .
    H H17C -0.5275 0.3671 0.5237 0.037 Uiso calc R 1 1 . .
    C C18 0.0605(2) 0.49959(8) 0.2613(2) 0.0190(5) Uani d . 1 1 . .
    C C19 -0.0703(2) 0.49363(8) 0.1842(2) 0.0182(5) Uani d . 1 1 . .
    C C20 -0.1186(2) 0.52255(8) 0.09590(19) 0.0163(5) Uani d . 1 1 . .
    C C21 -0.2430(2) 0.51461(8) 0.0285(2) 0.0203(5) Uani d . 1 1 . .
    H H21 -0.2772 0.5343 -0.0303 0.024 Uiso calc R 1 1 . .
    C C22 -0.3161(3) 0.47835(9) 0.0468(2) 0.0236(6) Uani d . 1 1 . .
    H H22 -0.4002 0.4730 -0.0001 0.028 Uiso calc R 1 1 . .
    C C23 -0.2682(3) 0.44941(9) 0.1332(2) 0.0242(6) Uani d . 1 1 . .
    H H23 -0.3191 0.4244 0.1454 0.029 Uiso calc R 1 1 . .
    C C24 -0.1463(2) 0.45724(8) 0.2012(2) 0.0216(5) Uani d . 1 1 . .
    H H24 -0.1137 0.4375 0.2605 0.026 Uiso calc R 1 1 . .
    C C25 -0.0119(2) 0.62188(8) -0.00658(19) 0.0164(5) Uani d . 1 1 . .
    C C26 0.1145(2) 0.63123(8) 0.0583(2) 0.0174(5) Uani d . 1 1 . .
    C C27 0.1705(2) 0.67117(8) 0.0446(2) 0.0205(5) Uani d . 1 1 . .
    H H27 0.2574 0.6780 0.0851 0.025 Uiso calc R 1 1 . .
    C C28 0.1019(2) 0.70090(8) -0.0266(2) 0.0191(5) Uani d . 1 1 . .
    H H28 0.1415 0.7281 -0.0316 0.023 Uiso calc R 1 1 . .
    C C29 -0.0242(2) 0.69246(8) -0.09212(19) 0.0155(5) Uani d . 1 1 . .
    C C30 -0.0765(2) 0.65243(8) -0.08173(19) 0.0167(5) Uani d . 1 1 . .
    H H30 -0.1598 0.6453 -0.1274 0.020 Uiso calc R 1 1 . .
    C C31 -0.0990(2) 0.72721(8) -0.1662(2) 0.0176(5) Uani d . 1 1 . .
    C C32 -0.2250(2) 0.71042(8) -0.2421(2) 0.0235(5) Uani d . 1 1 . .
    H H32A -0.2927 0.6988 -0.1887 0.035 Uiso calc R 1 1 . .
    H H32B -0.1949 0.6884 -0.2962 0.035 Uiso calc R 1 1 . .
    H H32C -0.2682 0.7333 -0.2900 0.035 Uiso calc R 1 1 . .
    C C33 -0.1492(3) 0.76023(8) -0.0787(2) 0.0217(5) Uani d . 1 1 . .
    H H33A -0.1977 0.7827 -0.1244 0.033 Uiso calc R 1 1 . .
    H H33B -0.0691 0.7719 -0.0313 0.033 Uiso calc R 1 1 . .
    H H33C -0.2130 0.7472 -0.0242 0.033 Uiso calc R 1 1 . .
    C C34 0.0008(2) 0.74802(8) -0.2511(2) 0.0206(5) Uani d . 1 1 . .
    H H34A -0.0475 0.7708 -0.2955 0.031 Uiso calc R 1 1 . .
    H H34B 0.0322 0.7272 -0.3083 0.031 Uiso calc R 1 1 . .
    H H34C 0.0814 0.7593 -0.2035 0.031 Uiso calc R 1 1 . .
    C C35 0.2588(3) 0.55181(8) 0.4982(2) 0.0254(6) Uani d . 1 1 . .
    H H35A 0.3164 0.5526 0.5741 0.038 Uiso calc R 1 1 . .
    H H35B 0.1614 0.5568 0.5147 0.038 Uiso calc R 1 1 . .
    H H35C 0.2900 0.5736 0.4437 0.038 Uiso calc R 1 1 . .
    C C36 0.3840(3) 0.45265(8) 0.3069(2) 0.0247(6) Uani d . 1 1 . .
    H H36A 0.4412 0.4691 0.2541 0.037 Uiso calc R 1 1 . .
    H H36B 0.3167 0.4359 0.2575 0.037 Uiso calc R 1 1 . .
    H H36C 0.4439 0.4339 0.3571 0.037 Uiso calc R 1 1 . .
_geom_special_details
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
    Sn O1 . 2.1118(16) y
    Sn O2 . 2.6967(16) y
    Sn O4 . 2.1120(16) y
    Sn O5 . 2.4482(16) y
    Sn C35 . 2.081(3) y
    Sn C36 . 2.098(2) y
    Sn O2 3_666 2.8802(16) n
    O1 C1 . 1.291(3) ?
    O2 C1 . 1.236(3) ?
    O3 C9 . 1.345(3) ?
    O3 H3 . 0.8400 ?
    O4 C18 . 1.291(3) ?
    O5 C18 . 1.245(3) ?
    O6 C26 . 1.345(3) ?
    O6 H6 . 0.8400 ?
    N1 N2 . 1.260(3) ?
    N1 C3 . 1.422(3) ?
    N2 C8 . 1.414(3) ?
    N3 N4 . 1.264(3) ?
    N3 C20 . 1.418(3) ?
    N4 C25 . 1.402(3) ?
    C1 C2 . 1.494(3) ?
    C2 C7 . 1.392(3) ?
    C2 C3 . 1.405(3) ?
    C3 C4 . 1.388(3) ?
    C4 C5 . 1.385(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.387(3) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.385(3) ?
    C6 H6A . 0.9500 ?
    C7 H7 . 0.9500 ?
    C8 C13 . 1.397(3) ?
    C8 C9 . 1.411(3) ?
    C9 C10 . 1.394(3) ?
    C10 C11 . 1.379(3) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.405(3) ?
    C11 H11 . 0.9500 ?
    C12 C13 . 1.379(3) ?
    C12 C14 . 1.529(3) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.525(3) ?
    C14 C16 . 1.534(4) ?
    C14 C17 . 1.536(3) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C16 H16C . 0.9800 ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    C18 C19 . 1.491(3) ?
    C19 C24 . 1.391(3) ?
    C19 C20 . 1.404(3) ?
    C20 C21 . 1.396(3) ?
    C21 C22 . 1.375(4) ?
    C21 H21 . 0.9500 ?
    C22 C23 . 1.389(4) ?
    C22 H22 . 0.9500 ?
    C23 C24 . 1.379(3) ?
    C23 H23 . 0.9500 ?
    C24 H24 . 0.9500 ?
    C25 C30 . 1.403(3) ?
    C25 C26 . 1.408(3) ?
    C26 C27 . 1.395(3) ?
    C27 C28 . 1.377(3) ?
    C27 H27 . 0.9500 ?
    C28 C29 . 1.403(3) ?
    C28 H28 . 0.9500 ?
    C29 C30 . 1.379(3) ?
    C29 C31 . 1.533(3) ?
    C30 H30 . 0.9500 ?
    C31 C33 . 1.530(3) ?
    C31 C32 . 1.531(3) ?
    C31 C34 . 1.536(3) ?
    C32 H32A . 0.9800 ?
    C32 H32B . 0.9800 ?
    C32 H32C . 0.9800 ?
    C33 H33A . 0.9800 ?
    C33 H33B . 0.9800 ?
    C33 H33C . 0.9800 ?
    C34 H34A . 0.9800 ?
    C34 H34B . 0.9800 ?
    C34 H34C . 0.9800 ?
    C35 H35A . 0.9800 ?
    C35 H35B . 0.9800 ?
    C35 H35C . 0.9800 ?
    C36 H36A . 0.9800 ?
    C36 H36B . 0.9800 ?
    C36 H36C . 0.9800 ?
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
    C35 Sn C36 . . 149.63(10) ?
    C35 Sn O4 . . 102.74(9) ?
    C36 Sn O4 . . 100.26(8) ?
    C35 Sn O1 . . 103.14(9) ?
    C36 Sn O1 . . 99.46(9) ?
    O4 Sn O1 . . 81.98(6) ?
    C35 Sn O5 . . 88.82(8) ?
    C36 Sn O5 . . 87.38(8) ?
    O4 Sn O5 . . 56.84(6) ?
    O1 Sn O5 . . 138.79(6) ?
    C35 Sn C18 . . 97.36(9) ?
    C36 Sn C18 . . 93.25(8) ?
    O4 Sn C18 . . 28.89(7) ?
    O1 Sn C18 . . 110.80(7) ?
    O5 Sn C18 . . 27.98(6) ?
    C35 Sn O2 . . 90.85(8) ?
    C36 Sn O2 . . 86.85(8) ?
    O4 Sn O2 . . 134.70(6) ?
    O1 Sn O2 . . 52.77(5) ?
    O5 Sn O2 . . 168.00(5) ?
    C18 Sn O2 . . 163.18(6) ?
    C35 Sn O2 . 3_666 75.17(8) ?
    C36 Sn O2 . 3_666 75.64(8) ?
    O4 Sn O2 . 3_666 155.42(5) ?
    O1 Sn O2 . 3_666 122.54(5) ?
    O5 Sn O2 . 3_666 98.59(5) ?
    C18 Sn O2 . 3_666 126.53(6) ?
    O2 Sn O2 . 3_666 69.77(5) ?
    C1 O1 Sn . . 106.00(14) ?
    C1 O2 Sn . . 79.89(13) ?
    C9 O3 H3 . . 109.5 ?
    C18 O4 Sn . . 98.92(14) ?
    C18 O5 Sn . . 84.64(13) ?
    C26 O6 H6 . . 109.5 ?
    N2 N1 C3 . . 115.46(18) ?
    N1 N2 C8 . . 114.07(18) ?
    N4 N3 C20 . . 115.05(19) ?
    N3 N4 C25 . . 114.36(19) ?
    O2 C1 O1 . . 121.1(2) ?
    O2 C1 C2 . . 121.4(2) ?
    O1 C1 C2 . . 117.5(2) ?
    C7 C2 C3 . . 118.8(2) ?
    C7 C2 C1 . . 118.0(2) ?
    C3 C2 C1 . . 123.3(2) ?
    C4 C3 C2 . . 120.2(2) ?
    C4 C3 N1 . . 120.7(2) ?
    C2 C3 N1 . . 118.7(2) ?
    C5 C4 C3 . . 120.1(2) ?
    C5 C4 H4 . . 120.0 ?
    C3 C4 H4 . . 120.0 ?
    C4 C5 C6 . . 120.4(2) ?
    C4 C5 H5 . . 119.8 ?
    C6 C5 H5 . . 119.8 ?
    C7 C6 C5 . . 119.7(2) ?
    C7 C6 H6A . . 120.2 ?
    C5 C6 H6A . . 120.2 ?
    C6 C7 C2 . . 120.9(2) ?
    C6 C7 H7 . . 119.5 ?
    C2 C7 H7 . . 119.5 ?
    C13 C8 C9 . . 119.7(2) ?
    C13 C8 N2 . . 115.5(2) ?
    C9 C8 N2 . . 124.8(2) ?
    O3 C9 C10 . . 118.1(2) ?
    O3 C9 C8 . . 123.8(2) ?
    C10 C9 C8 . . 118.1(2) ?
    C11 C10 C9 . . 120.6(2) ?
    C11 C10 H10 . . 119.7 ?
    C9 C10 H10 . . 119.7 ?
    C10 C11 C12 . . 122.4(2) ?
    C10 C11 H11 . . 118.8 ?
    C12 C11 H11 . . 118.8 ?
    C13 C12 C11 . . 116.5(2) ?
    C13 C12 C14 . . 123.9(2) ?
    C11 C12 C14 . . 119.6(2) ?
    C12 C13 C8 . . 122.6(2) ?
    C12 C13 H13 . . 118.7 ?
    C8 C13 H13 . . 118.7 ?
    C15 C14 C12 . . 111.73(19) ?
    C15 C14 C16 . . 108.4(2) ?
    C12 C14 C16 . . 110.0(2) ?
    C15 C14 C17 . . 108.5(2) ?
    C12 C14 C17 . . 108.9(2) ?
    C16 C14 C17 . . 109.2(2) ?
    C14 C15 H15A . . 109.5 ?
    C14 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    C14 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C14 C16 H16A . . 109.5 ?
    C14 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    C14 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    C14 C17 H17A . . 109.5 ?
    C14 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C14 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    O5 C18 O4 . . 119.5(2) ?
    O5 C18 C19 . . 124.6(2) ?
    O4 C18 C19 . . 115.9(2) ?
    O5 C18 Sn . . 67.37(12) ?
    O4 C18 Sn . . 52.20(11) ?
    C19 C18 Sn . . 166.89(17) ?
    C24 C19 C20 . . 119.2(2) ?
    C24 C19 C18 . . 117.5(2) ?
    C20 C19 C18 . . 123.3(2) ?
    C21 C20 C19 . . 119.5(2) ?
    C21 C20 N3 . . 122.9(2) ?
    C19 C20 N3 . . 117.6(2) ?
    C22 C21 C20 . . 120.3(2) ?
    C22 C21 H21 . . 119.9 ?
    C20 C21 H21 . . 119.9 ?
    C21 C22 C23 . . 120.5(2) ?
    C21 C22 H22 . . 119.7 ?
    C23 C22 H22 . . 119.7 ?
    C24 C23 C22 . . 119.6(2) ?
    C24 C23 H23 . . 120.2 ?
    C22 C23 H23 . . 120.2 ?
    C23 C24 C19 . . 120.9(2) ?
    C23 C24 H24 . . 119.5 ?
    C19 C24 H24 . . 119.5 ?
    N4 C25 C30 . . 114.8(2) ?
    N4 C25 C26 . . 125.5(2) ?
    C30 C25 C26 . . 119.7(2) ?
    O6 C26 C27 . . 117.8(2) ?
    O6 C26 C25 . . 124.4(2) ?
    C27 C26 C25 . . 117.8(2) ?
    C28 C27 C26 . . 121.0(2) ?
    C28 C27 H27 . . 119.5 ?
    C26 C27 H27 . . 119.5 ?
    C27 C28 C29 . . 122.4(2) ?
    C27 C28 H28 . . 118.8 ?
    C29 C28 H28 . . 118.8 ?
    C30 C29 C28 . . 116.3(2) ?
    C30 C29 C31 . . 123.4(2) ?
    C28 C29 C31 . . 120.2(2) ?
    C29 C30 C25 . . 122.7(2) ?
    C29 C30 H30 . . 118.6 ?
    C25 C30 H30 . . 118.6 ?
    C33 C31 C32 . . 108.61(19) ?
    C33 C31 C29 . . 108.23(18) ?
    C32 C31 C29 . . 111.9(2) ?
    C33 C31 C34 . . 109.0(2) ?
    C32 C31 C34 . . 108.57(19) ?
    C29 C31 C34 . . 110.45(18) ?
    C31 C32 H32A . . 109.5 ?
    C31 C32 H32B . . 109.5 ?
    H32A C32 H32B . . 109.5 ?
    C31 C32 H32C . . 109.5 ?
    H32A C32 H32C . . 109.5 ?
    H32B C32 H32C . . 109.5 ?
    C31 C33 H33A . . 109.5 ?
    C31 C33 H33B . . 109.5 ?
    H33A C33 H33B . . 109.5 ?
    C31 C33 H33C . . 109.5 ?
    H33A C33 H33C . . 109.5 ?
    H33B C33 H33C . . 109.5 ?
    C31 C34 H34A . . 109.5 ?
    C31 C34 H34B . . 109.5 ?
    H34A C34 H34B . . 109.5 ?
    C31 C34 H34C . . 109.5 ?
    H34A C34 H34C . . 109.5 ?
    H34B C34 H34C . . 109.5 ?
    Sn C35 H35A . . 109.5 ?
    Sn C35 H35B . . 109.5 ?
    H35A C35 H35B . . 109.5 ?
    Sn C35 H35C . . 109.5 ?
    H35A C35 H35C . . 109.5 ?
    H35B C35 H35C . . 109.5 ?
    Sn C36 H36A . . 109.5 ?
    Sn C36 H36B . . 109.5 ?
    H36A C36 H36B . . 109.5 ?
    Sn C36 H36C . . 109.5 ?
    H36A C36 H36C . . 109.5 ?
    H36B C36 H36C . . 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
    C35 Sn O1 C1 . . . . -83.78(16) ?
    C36 Sn O1 C1 . . . . 75.78(16) ?
    O4 Sn O1 C1 . . . . 174.93(16) ?
    O5 Sn O1 C1 . . . . 172.67(13) ?
    C18 Sn O1 C1 . . . . 172.96(15) ?
    O2 Sn O1 C1 . . . . -2.88(13) ?
    O2 Sn O1 C1 3_666 . . . -3.15(17) ?
    C35 Sn O2 C1 . . . . 108.86(15) ?
    C36 Sn O2 C1 . . . . -101.45(16) ?
    O4 Sn O2 C1 . . . . -0.12(17) ?
    O1 Sn O2 C1 . . . . 2.94(14) ?
    O5 Sn O2 C1 . . . . -162.8(3) ?
    C18 Sn O2 C1 . . . . -10.6(3) ?
    O2 Sn O2 C1 3_666 . . . -177.31(17) ?
    C35 Sn O4 C18 . . . . 82.07(16) ?
    C36 Sn O4 C18 . . . . -77.96(16) ?
    O1 Sn O4 C18 . . . . -176.19(15) ?
    O5 Sn O4 C18 . . . . 2.03(13) ?
    O2 Sn O4 C18 . . . . -173.73(12) ?
    O2 Sn O4 C18 3_666 . . . -0.1(2) ?
    C35 Sn O5 C18 . . . . -108.18(15) ?
    C36 Sn O5 C18 . . . . 101.96(16) ?
    O4 Sn O5 C18 . . . . -2.09(13) ?
    O1 Sn O5 C18 . . . . 0.57(18) ?
    O2 Sn O5 C18 . . . . 163.3(2) ?
    O2 Sn O5 C18 3_666 . . . 177.01(14) ?
    C3 N1 N2 C8 . . . . -175.48(19) ?
    C20 N3 N4 C25 . . . . 176.77(18) ?
    Sn O2 C1 O1 . . . . -4.5(2) ?
    Sn O2 C1 C2 . . . . 174.5(2) ?
    Sn O1 C1 O2 . . . . 5.9(3) ?
    Sn O1 C1 C2 . . . . -173.12(16) ?
    O2 C1 C2 C7 . . . . 16.0(3) ?
    O1 C1 C2 C7 . . . . -165.0(2) ?
    O2 C1 C2 C3 . . . . -163.7(2) ?
    O1 C1 C2 C3 . . . . 15.2(3) ?
    C7 C2 C3 C4 . . . . 1.6(3) ?
    C1 C2 C3 C4 . . . . -178.6(2) ?
    C7 C2 C3 N1 . . . . -171.1(2) ?
    C1 C2 C3 N1 . . . . 8.6(3) ?
    N2 N1 C3 C4 . . . . 34.5(3) ?
    N2 N1 C3 C2 . . . . -152.8(2) ?
    C2 C3 C4 C5 . . . . -0.3(3) ?
    N1 C3 C4 C5 . . . . 172.3(2) ?
    C3 C4 C5 C6 . . . . -1.1(4) ?
    C4 C5 C6 C7 . . . . 1.3(4) ?
    C5 C6 C7 C2 . . . . 0.1(4) ?
    C3 C2 C7 C6 . . . . -1.5(3) ?
    C1 C2 C7 C6 . . . . 178.7(2) ?
    N1 N2 C8 C13 . . . . 179.8(2) ?
    N1 N2 C8 C9 . . . . 0.0(3) ?
    C13 C8 C9 O3 . . . . 179.2(2) ?
    N2 C8 C9 O3 . . . . -1.0(4) ?
    C13 C8 C9 C10 . . . . -1.1(4) ?
    N2 C8 C9 C10 . . . . 178.7(2) ?
    O3 C9 C10 C11 . . . . 179.8(2) ?
    C8 C9 C10 C11 . . . . 0.0(4) ?
    C9 C10 C11 C12 . . . . 0.5(4) ?
    C10 C11 C12 C13 . . . . 0.2(4) ?
    C10 C11 C12 C14 . . . . 178.5(2) ?
    C11 C12 C13 C8 . . . . -1.3(4) ?
    C14 C12 C13 C8 . . . . -179.5(2) ?
    C9 C8 C13 C12 . . . . 1.8(4) ?
    N2 C8 C13 C12 . . . . -178.0(2) ?
    C13 C12 C14 C15 . . . . -2.2(3) ?
    C11 C12 C14 C15 . . . . 179.6(2) ?
    C13 C12 C14 C16 . . . . -122.7(3) ?
    C11 C12 C14 C16 . . . . 59.1(3) ?
    C13 C12 C14 C17 . . . . 117.6(3) ?
    C11 C12 C14 C17 . . . . -60.6(3) ?
    Sn O5 C18 O4 . . . . 3.3(2) ?
    Sn O5 C18 C19 . . . . -173.8(2) ?
    Sn O4 C18 O5 . . . . -3.9(2) ?
    Sn O4 C18 C19 . . . . 173.52(17) ?
    C35 Sn C18 O5 . . . . 73.29(15) ?
    C36 Sn C18 O5 . . . . -78.19(15) ?
    O4 Sn C18 O5 . . . . 176.4(2) ?
    O1 Sn C18 O5 . . . . -179.59(13) ?
    O2 Sn C18 O5 . . . . -168.08(17) ?
    O2 Sn C18 O5 3_666 . . . -3.68(17) ?
    C35 Sn C18 O4 . . . . -103.08(15) ?
    C36 Sn C18 O4 . . . . 105.44(15) ?
    O1 Sn C18 O4 . . . . 4.04(16) ?
    O5 Sn C18 O4 . . . . -176.4(2) ?
    O2 Sn C18 O4 . . . . 15.6(3) ?
    O2 Sn C18 O4 3_666 . . . 179.96(12) ?
    C35 Sn C18 C19 . . . . -129.7(7) ?
    C36 Sn C18 C19 . . . . 78.9(7) ?
    O4 Sn C18 C19 . . . . -26.6(7) ?
    O1 Sn C18 C19 . . . . -22.6(7) ?
    O5 Sn C18 C19 . . . . 157.0(8) ?
    O2 Sn C18 C19 . . . . -11.0(9) ?
    O2 Sn C18 C19 3_666 . . . 153.4(7) ?
    O5 C18 C19 C24 . . . . 155.3(2) ?
    O4 C18 C19 C24 . . . . -21.9(3) ?
    Sn C18 C19 C24 . . . . 1.2(8) ?
    O5 C18 C19 C20 . . . . -24.1(4) ?
    O4 C18 C19 C20 . . . . 158.7(2) ?
    Sn C18 C19 C20 . . . . -178.2(6) ?
    C24 C19 C20 C21 . . . . 1.2(3) ?
    C18 C19 C20 C21 . . . . -179.5(2) ?
    C24 C19 C20 N3 . . . . 178.4(2) ?
    C18 C19 C20 N3 . . . . -2.3(3) ?
    N4 N3 C20 C21 . . . . -4.8(3) ?
    N4 N3 C20 C19 . . . . 178.1(2) ?
    C19 C20 C21 C22 . . . . -1.3(3) ?
    N3 C20 C21 C22 . . . . -178.3(2) ?
    C20 C21 C22 C23 . . . . 0.7(4) ?
    C21 C22 C23 C24 . . . . 0.1(4) ?
    C22 C23 C24 C19 . . . . -0.2(4) ?
    C20 C19 C24 C23 . . . . -0.4(4) ?
    C18 C19 C24 C23 . . . . -179.8(2) ?
    N3 N4 C25 C30 . . . . -168.2(2) ?
    N3 N4 C25 C26 . . . . 8.9(3) ?
    N4 C25 C26 O6 . . . . 3.8(4) ?
    C30 C25 C26 O6 . . . . -179.2(2) ?
    N4 C25 C26 C27 . . . . -176.9(2) ?
    C30 C25 C26 C27 . . . . 0.0(3) ?
    O6 C26 C27 C28 . . . . -178.4(2) ?
    C25 C26 C27 C28 . . . . 2.3(3) ?
    C26 C27 C28 C29 . . . . -2.3(4) ?
    C27 C28 C29 C30 . . . . -0.2(3) ?
    C27 C28 C29 C31 . . . . 177.6(2) ?
    C28 C29 C30 C25 . . . . 2.5(3) ?
    C31 C29 C30 C25 . . . . -175.2(2) ?
    N4 C25 C30 C29 . . . . 174.8(2) ?
    C26 C25 C30 C29 . . . . -2.5(3) ?
    C30 C29 C31 C33 . . . . 110.7(2) ?
    C28 C29 C31 C33 . . . . -67.0(3) ?
    C30 C29 C31 C32 . . . . -9.0(3) ?
    C28 C29 C31 C32 . . . . 173.4(2) ?
    C30 C29 C31 C34 . . . . -130.1(2) ?
    C28 C29 C31 C34 . . . . 52.3(3) ?
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
    O3 H3 O1 . 0.84 2.49 3.142(2) 136
    O3 H3 N1 . 0.84 1.87 2.573(2) 140
    O6 H6 O5 . 0.84 2.20 2.877(3) 137
    O6 H6 N3 . 0.84 1.93 2.620(3) 139
    C10 H10 Cg1 3_565 0.95 2.97 3.863(2) 157
