#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:59:13 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228985 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/08/7230885.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7230885
loop_
_publ_author_name
'Jobbágy, Csaba'
'Baranyai, Péter'
'Gömöry, Ágnes'
'Deák, Andrea'
_publ_section_title
;
 A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour
 and selective luminescence sensing properties
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              5935
_journal_paper_doi               10.1039/C8CE00652K
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C84 H80 O10 P4 Sn4, 1.226(C H2 Cl2)'
_chemical_formula_sum            'C85.23 H82.45 Cl2.45 O10 P4 Sn4'
_chemical_formula_weight         1952.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-05-30 deposited with the CCDC.
2018-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                112.5160(10)
_cell_angle_beta                 99.834(4)
_cell_angle_gamma                98.038(3)
_cell_formula_units_Z            1
_cell_length_a                   8.57560(10)
_cell_length_b                   15.1244(2)
_cell_length_c                   18.2776(5)
_cell_measurement_reflns_used    15573
_cell_measurement_temperature    109(2)
_cell_measurement_theta_max      35.6295
_cell_measurement_theta_min      2.3077
_cell_volume                     2102.17(9)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2014)'
_computing_publication_material  'WinGX (Farrugia, 2014), PLATON (Spek, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      109(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'R Axis Rapid CrystalClear (Rigaku/MSC, 2005)'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            65098
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.308
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.384
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_description       platelet
_exptl_crystal_F_000             975
_exptl_crystal_size_max          0.510
_exptl_crystal_size_mid          0.390
_exptl_crystal_size_min          0.300
_refine_diff_density_max         3.651
_refine_diff_density_min         -1.561
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         7412
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0411P)²+7.5171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1091
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7157
_reflns_number_total             7412
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00652k2.cif
_cod_data_source_block           ML
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7230885--7230886.cif.
;
_cod_original_cell_volume        2102.17(8)
_cod_database_code               7230885
_shelx_shelxl_version_number     2016/6
_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   0.539
_shelx_estimated_absorpt_t_max   0.682
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Sn1 Sn 0.18327(3) 0.17354(2) 0.45569(2) 0.01753(10) Uani 1 1 d . . .
C15 C 0.0373(6) 0.1780(4) 0.3522(3) 0.0271(11) Uani 1 1 d . . .
H15A H -0.033911 0.223301 0.369738 0.041 Uiso 1 1 calc R U .
H15B H -0.028991 0.112095 0.316243 0.041 Uiso 1 1 calc R U .
H15C H 0.106918 0.200617 0.322670 0.041 Uiso 1 1 calc R U .
C16 C 0.4146(6) 0.2365(4) 0.5368(3) 0.0286(11) Uani 1 1 d . . .
H16A H 0.464678 0.184449 0.542791 0.043 Uiso 1 1 calc R U .
H16B H 0.403919 0.281225 0.590216 0.043 Uiso 1 1 calc R U .
H16C H 0.482857 0.273126 0.515271 0.043 Uiso 1 1 calc R U .
O1 O 0.0419(4) 0.2478(2) 0.53950(19) 0.0201(7) Uani 1 1 d . . .
O2 O 0.1639(4) 0.3709(2) 0.5175(2) 0.0275(8) Uani 1 1 d . . .
C1 C 0.0678(5) 0.3391(3) 0.5492(3) 0.0200(10) Uani 1 1 d . . .
C2 C -0.0265(5) 0.4030(3) 0.6000(3) 0.0188(9) Uani 1 1 d . . .
C3 C -0.1360(6) 0.3684(3) 0.6363(3) 0.0229(10) Uani 1 1 d . . .
H3 H -0.152568 0.301722 0.628612 0.027 Uiso 1 1 calc R U .
C4 C -0.2217(6) 0.4293(3) 0.6835(3) 0.0246(10) Uani 1 1 d . . .
H4 H -0.294920 0.404142 0.708083 0.030 Uiso 1 1 calc R U .
C5 C -0.2009(5) 0.5271(3) 0.6948(3) 0.0205(10) Uani 1 1 d . . .
C6 C -0.0926(6) 0.5614(3) 0.6576(3) 0.0249(10) Uani 1 1 d . . .
H6 H -0.077279 0.627877 0.664635 0.030 Uiso 1 1 calc R U .
C7 C -0.0069(6) 0.5009(3) 0.6107(3) 0.0235(10) Uani 1 1 d . . .
H7 H 0.065526 0.525966 0.585694 0.028 Uiso 1 1 calc R U .
P1 P -0.29357(14) 0.61758(9) 0.76305(7) 0.0208(3) Uani 1 1 d . . .
C1A C -0.4331(6) 0.5412(3) 0.7932(3) 0.0211(10) Uani 1 1 d . . .
C2A C -0.3695(6) 0.5284(4) 0.8635(3) 0.0288(11) Uani 1 1 d . . .
H2A H -0.258787 0.557229 0.891787 0.035 Uiso 1 1 calc R U .
C3A C -0.4660(7) 0.4742(4) 0.8924(3) 0.0353(13) Uani 1 1 d . . .
H3A H -0.421202 0.465559 0.939741 0.042 Uiso 1 1 calc R U .
C4A C -0.6271(7) 0.4330(4) 0.8520(3) 0.0328(12) Uani 1 1 d . . .
H4A H -0.693735 0.396195 0.871717 0.039 Uiso 1 1 calc R U .
C5A C -0.6921(6) 0.4454(4) 0.7824(3) 0.0321(12) Uani 1 1 d . . .
H5A H -0.803195 0.416867 0.754860 0.039 Uiso 1 1 calc R U .
C6A C -0.5963(6) 0.4991(4) 0.7529(3) 0.0273(11) Uani 1 1 d . . .
H6A H -0.641851 0.507086 0.705260 0.033 Uiso 1 1 calc R U .
C1B C -0.4326(5) 0.6447(3) 0.6907(3) 0.0199(9) Uani 1 1 d . . .
C2B C -0.5131(6) 0.5766(4) 0.6113(3) 0.0241(10) Uani 1 1 d . . .
H2B H -0.490427 0.513057 0.590914 0.029 Uiso 1 1 calc R U .
C3B C -0.6256(6) 0.6006(4) 0.5620(3) 0.0256(10) Uani 1 1 d . . .
H3B H -0.680111 0.553723 0.508302 0.031 Uiso 1 1 calc R U .
C4B C -0.6576(6) 0.6932(4) 0.5917(3) 0.0266(11) Uani 1 1 d . . .
H4B H -0.736047 0.709498 0.558477 0.032 Uiso 1 1 calc R U .
C5B C -0.5770(6) 0.7621(4) 0.6688(3) 0.0325(12) Uani 1 1 d . . .
H5B H -0.598060 0.826110 0.688188 0.039 Uiso 1 1 calc R U .
C6B C -0.4648(6) 0.7382(4) 0.7184(3) 0.0287(11) Uani 1 1 d . . .
H6B H -0.409496 0.786001 0.771650 0.034 Uiso 1 1 calc R U .
Sn2 Sn -0.10006(3) 0.07976(2) 0.54804(2) 0.01610(10) Uani 1 1 d . . .
C17 C -0.2773(6) 0.0842(4) 0.4550(3) 0.0247(10) Uani 1 1 d . . .
H17A H -0.233064 0.075561 0.407259 0.037 Uiso 1 1 calc R U .
H17B H -0.307842 0.147767 0.474786 0.037 Uiso 1 1 calc R U .
H17C H -0.373266 0.031363 0.439563 0.037 Uiso 1 1 calc R U .
C18 C 0.0517(6) 0.1563(4) 0.6674(3) 0.0283(11) Uani 1 1 d . . .
H18A H 0.044327 0.114736 0.697258 0.042 Uiso 1 1 calc R U .
H18B H 0.016893 0.216691 0.695969 0.042 Uiso 1 1 calc R U .
H18C H 0.164314 0.172960 0.664316 0.042 Uiso 1 1 calc R U .
O3 O 0.3105(4) -0.0556(2) 0.3983(2) 0.0246(7) Uani 1 1 d . . .
O4 O 0.2784(4) 0.0642(2) 0.3581(2) 0.0255(7) Uani 1 1 d . . .
O5 O 0.0846(4) 0.0631(2) 0.48136(19) 0.0186(6) Uani 1 1 d . . .
C8 C 0.3228(5) -0.0141(3) 0.3505(3) 0.0207(10) Uani 1 1 d . . .
C9 C 0.3947(5) -0.0623(3) 0.2800(3) 0.0206(10) Uani 1 1 d . . .
C10 C 0.4612(6) -0.1429(4) 0.2739(3) 0.0258(10) Uani 1 1 d . . .
H10 H 0.466322 -0.165305 0.316018 0.031 Uiso 1 1 calc R U .
C11 C 0.5201(6) -0.1906(4) 0.2068(3) 0.0298(11) Uani 1 1 d . . .
H11 H 0.567431 -0.244553 0.204120 0.036 Uiso 1 1 calc R U .
C12 C 0.5112(6) -0.1611(4) 0.1435(3) 0.0275(11) Uani 1 1 d . . .
C13 C 0.4445(7) -0.0799(4) 0.1504(3) 0.0311(12) Uani 1 1 d . . .
H13 H 0.437696 -0.058164 0.107873 0.037 Uiso 1 1 calc R U .
C14 C 0.3882(6) -0.0308(4) 0.2178(3) 0.0246(10) Uani 1 1 d . . .
H14 H 0.344922 0.024870 0.221617 0.030 Uiso 1 1 calc R U .
P2 P 0.58429(19) -0.23405(12) 0.05496(8) 0.0367(4) Uani 1 1 d . . .
C1C C 0.4482(7) -0.2255(4) -0.0302(3) 0.0355(13) Uani 1 1 d . . .
C2C C 0.3211(8) -0.3078(5) -0.0775(4) 0.0455(15) Uani 1 1 d . . .
H2C H 0.310156 -0.363729 -0.065352 0.055 Uiso 1 1 calc R U .
C3C C 0.2101(8) -0.3068(5) -0.1429(4) 0.0547(18) Uani 1 1 d . . .
H3C H 0.124053 -0.362675 -0.175383 0.066 Uiso 1 1 calc R U .
C4C C 0.2245(8) -0.2254(6) -0.1605(4) 0.0512(18) Uani 1 1 d . . .
H4C H 0.147427 -0.225088 -0.204424 0.061 Uiso 1 1 calc R U .
C5C C 0.3511(8) -0.1442(6) -0.1143(4) 0.0486(17) Uani 1 1 d . . .
H5C H 0.360944 -0.088332 -0.126497 0.058 Uiso 1 1 calc R U .
C6C C 0.4644(7) -0.1447(5) -0.0496(3) 0.0408(14) Uani 1 1 d . . .
H6C H 0.552803 -0.089675 -0.018894 0.049 Uiso 1 1 calc R U .
C1D C 0.7728(7) -0.1511(5) 0.0663(3) 0.0388(14) Uani 1 1 d . . .
C2D C 0.8512(9) -0.1836(5) 0.0026(4) 0.0501(17) Uani 1 1 d . . .
H2D H 0.803296 -0.244251 -0.043407 0.060 Uiso 1 1 calc R U .
C3D C 0.9966(10) -0.1287(6) 0.0060(4) 0.059(2) Uani 1 1 d . . .
H3D H 1.048281 -0.151977 -0.037481 0.071 Uiso 1 1 calc R U .
C4D C 1.0689(8) -0.0395(6) 0.0724(4) 0.058(2) Uani 1 1 d . . .
H4D H 1.168907 -0.001482 0.074419 0.070 Uiso 1 1 calc R U .
C5D C 0.9925(8) -0.0070(7) 0.1356(4) 0.068(2) Uani 1 1 d . . .
H5D H 1.040133 0.053926 0.181287 0.082 Uiso 1 1 calc R U .
C6D C 0.8468(7) -0.0628(5) 0.1324(3) 0.0523(19) Uani 1 1 d . . .
H6D H 0.796769 -0.040038 0.176631 0.063 Uiso 1 1 calc R U .
C19 C 0.0618(11) 0.7102(6) 0.1250(7) 0.059(4) Uani 0.613(6) 1 d D . P
H19A H 0.148762 0.769915 0.143159 0.071 Uiso 0.613(6) 1 calc R U P
H19B H -0.044010 0.729000 0.126727 0.071 Uiso 0.613(6) 1 calc R U P
Cl1 Cl 0.0589(10) 0.6208(9) 0.0236(5) 0.278(7) Uani 0.613(6) 1 d D . P
Cl2 Cl 0.0960(5) 0.6525(3) 0.1768(3) 0.0918(16) Uani 0.613(6) 1 d D . P
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'
Cl Cl 0.1484 0.1585 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Sn1 C16 105.92(17) . .
O5 Sn1 C15 112.34(17) . .
C16 Sn1 C15 141.3(2) . .
O5 Sn1 O1 79.33(11) . .
C16 Sn1 O1 97.78(16) . .
C15 Sn1 O1 94.79(16) . .
O5 Sn1 O4 89.21(12) . .
C16 Sn1 O4 93.17(16) . .
C15 Sn1 O4 81.95(16) . .
O1 Sn1 O4 165.92(12) . .
Sn1 C15 H15A 109.5 . .
Sn1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Sn1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Sn1 C16 H16A 109.5 . .
Sn1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Sn1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C1 O1 Sn1 107.2(3) . .
O2 C1 O1 121.7(4) . .
O2 C1 C2 121.5(4) . .
O1 C1 C2 116.8(4) . .
C3 C2 C7 118.2(4) . .
C3 C2 C1 122.5(4) . .
C7 C2 C1 119.3(4) . .
C4 C3 C2 121.4(4) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C3 C4 C5 120.3(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 118.2(4) . .
C4 C5 P1 124.3(4) . .
C6 C5 P1 117.3(3) . .
C7 C6 C5 121.5(4) . .
C7 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
C6 C7 C2 120.3(4) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
C1B P1 C1A 102.5(2) . .
C1B P1 C5 102.1(2) . .
C1A P1 C5 102.8(2) . .
C6A C1A C2A 118.8(5) . .
C6A C1A P1 124.6(4) . .
C2A C1A P1 116.6(4) . .
C3A C2A C1A 120.9(5) . .
C3A C2A H2A 119.5 . .
C1A C2A H2A 119.5 . .
C4A C3A C2A 119.8(5) . .
C4A C3A H3A 120.1 . .
C2A C3A H3A 120.1 . .
C3A C4A C5A 120.0(5) . .
C3A C4A H4A 120.0 . .
C5A C4A H4A 120.0 . .
C6A C5A C4A 120.7(5) . .
C6A C5A H5A 119.7 . .
C4A C5A H5A 119.7 . .
C5A C6A C1A 119.9(5) . .
C5A C6A H6A 120.1 . .
C1A C6A H6A 120.1 . .
C6B C1B C2B 118.4(4) . .
C6B C1B P1 117.3(4) . .
C2B C1B P1 124.3(4) . .
C3B C2B C1B 120.9(4) . .
C3B C2B H2B 119.6 . .
C1B C2B H2B 119.6 . .
C4B C3B C2B 119.5(5) . .
C4B C3B H3B 120.3 . .
C2B C3B H3B 120.3 . .
C5B C4B C3B 120.6(5) . .
C5B C4B H4B 119.7 . .
C3B C4B H4B 119.7 . .
C4B C5B C6B 120.0(5) . .
C4B C5B H5B 120.0 . .
C6B C5B H5B 120.0 . .
C5B C6B C1B 120.6(5) . .
C5B C6B H6B 119.7 . .
C1B C6B H6B 119.7 . .
O5 Sn2 C17 108.77(16) 2_556 .
O5 Sn2 C18 103.58(17) 2_556 .
C17 Sn2 C18 147.0(2) . .
O5 Sn2 O5 76.75(12) 2_556 .
C17 Sn2 O5 95.18(16) . .
C18 Sn2 O5 98.48(16) . .
O5 Sn2 O3 89.57(12) 2_556 2_556
C17 Sn2 O3 84.48(16) . 2_556
C18 Sn2 O3 89.39(17) . 2_556
O5 Sn2 O3 165.47(12) . 2_556
O5 Sn2 Sn2 39.41(8) 2_556 2_556
C17 Sn2 Sn2 105.03(14) . 2_556
C18 Sn2 Sn2 104.03(14) . 2_556
O5 Sn2 Sn2 37.33(8) . 2_556
O3 Sn2 Sn2 128.81(9) 2_556 2_556
Sn2 C17 H17A 109.5 . .
Sn2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Sn2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Sn2 C18 H18A 109.5 . .
Sn2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Sn2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C8 O3 Sn2 128.2(3) . 2_556
C8 O4 Sn1 133.6(3) . .
Sn1 O5 Sn2 136.14(15) . 2_556
Sn1 O5 Sn2 120.42(14) . .
Sn2 O5 Sn2 103.25(12) 2_556 .
O4 C8 O3 124.4(4) . .
O4 C8 C9 118.2(4) . .
O3 C8 C9 117.4(4) . .
C14 C9 C10 118.9(4) . .
C14 C9 C8 120.7(4) . .
C10 C9 C8 120.3(4) . .
C11 C10 C9 120.4(5) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 121.2(5) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C11 C12 C13 117.9(4) . .
C11 C12 P2 117.3(4) . .
C13 C12 P2 124.8(4) . .
C14 C13 C12 121.3(5) . .
C14 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C13 C14 C9 120.3(4) . .
C13 C14 H14 119.9 . .
C9 C14 H14 119.9 . .
C1D P2 C1C 101.3(3) . .
C1D P2 C12 102.4(2) . .
C1C P2 C12 102.2(2) . .
C6C C1C C2C 119.6(5) . .
C6C C1C P2 124.7(5) . .
C2C C1C P2 115.6(5) . .
C1C C2C C3C 119.4(6) . .
C1C C2C H2C 120.3 . .
C3C C2C H2C 120.3 . .
C4C C3C C2C 120.7(7) . .
C4C C3C H3C 119.7 . .
C2C C3C H3C 119.7 . .
C3C C4C C5C 120.1(6) . .
C3C C4C H4C 120.0 . .
C5C C4C H4C 120.0 . .
C4C C5C C6C 119.9(7) . .
C4C C5C H5C 120.0 . .
C6C C5C H5C 120.0 . .
C1C C6C C5C 120.3(6) . .
C1C C6C H6C 119.9 . .
C5C C6C H6C 119.9 . .
C6D C1D C2D 118.0(6) . .
C6D C1D P2 126.2(4) . .
C2D C1D P2 115.8(5) . .
C3D C2D C1D 120.7(7) . .
C3D C2D H2D 119.6 . .
C1D C2D H2D 119.6 . .
C2D C3D C4D 120.8(6) . .
C2D C3D H3D 119.6 . .
C4D C3D H3D 119.6 . .
C5D C4D C3D 118.8(7) . .
C5D C4D H4D 120.6 . .
C3D C4D H4D 120.6 . .
C4D C5D C6D 120.3(7) . .
C4D C5D H5D 119.8 . .
C6D C5D H5D 119.8 . .
C1D C6D C5D 121.4(6) . .
C1D C6D H6D 119.3 . .
C5D C6D H6D 119.3 . .
Cl2 C19 Cl1 101.6(6) . .
Cl2 C19 H19A 111.5 . .
Cl1 C19 H19A 111.5 . .
Cl2 C19 H19B 111.5 . .
Cl1 C19 H19B 111.5 . .
H19A C19 H19B 109.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O5 2.017(3) .
Sn1 C16 2.104(5) .
Sn1 C15 2.112(5) .
Sn1 O1 2.185(3) .
Sn1 O4 2.280(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 .
O1 C1 1.304(5) .
O2 C1 1.230(6) .
C1 C2 1.496(6) .
C2 C3 1.392(6) .
C2 C7 1.398(6) .
C3 C4 1.389(7) .
C3 H3 0.9500 .
C4 C5 1.393(7) .
C4 H4 0.9500 .
C5 C6 1.395(7) .
C5 P1 1.843(5) .
C6 C7 1.384(7) .
C6 H6 0.9500 .
C7 H7 0.9500 .
P1 C1B 1.831(5) .
P1 C1A 1.843(5) .
C1A C6A 1.395(7) .
C1A C2A 1.403(7) .
C2A C3A 1.387(8) .
C2A H2A 0.9500 .
C3A C4A 1.379(8) .
C3A H3A 0.9500 .
C4A C5A 1.389(7) .
C4A H4A 0.9500 .
C5A C6A 1.388(7) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C1B C6B 1.393(7) .
C1B C2B 1.399(7) .
C2B C3B 1.388(7) .
C2B H2B 0.9500 .
C3B C4B 1.382(7) .
C3B H3B 0.9500 .
C4B C5B 1.376(7) .
C4B H4B 0.9500 .
C5B C6B 1.389(7) .
C5B H5B 0.9500 .
C6B H6B 0.9500 .
Sn2 O5 2.047(3) 2_556
Sn2 C17 2.107(4) .
Sn2 C18 2.114(5) .
Sn2 O5 2.143(3) .
Sn2 O3 2.247(3) 2_556
Sn2 Sn2 3.2851(6) 2_556
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
O3 C8 1.266(6) .
O4 C8 1.259(6) .
C8 C9 1.499(6) .
C9 C14 1.387(7) .
C9 C10 1.392(7) .
C10 C11 1.383(7) .
C10 H10 0.9500 .
C11 C12 1.385(7) .
C11 H11 0.9500 .
C12 C13 1.397(7) .
C12 P2 1.845(5) .
C13 C14 1.380(7) .
C13 H13 0.9500 .
C14 H14 0.9500 .
P2 C1D 1.831(7) .
P2 C1C 1.837(5) .
C1C C6C 1.393(9) .
C1C C2C 1.400(9) .
C2C C3C 1.401(9) .
C2C H2C 0.9500 .
C3C C4C 1.383(10) .
C3C H3C 0.9500 .
C4C C5C 1.385(10) .
C4C H4C 0.9500 .
C5C C6C 1.399(8) .
C5C H5C 0.9500 .
C6C H6C 0.9500 .
C1D C6D 1.382(9) .
C1D C2D 1.403(8) .
C2D C3D 1.376(10) .
C2D H2D 0.9500 .
C3D C4D 1.390(10) .
C3D H3D 0.9500 .
C4D C5D 1.385(9) .
C4D H4D 0.9500 .
C5D C6D 1.386(10) .
C5D H5D 0.9500 .
C6D H6D 0.9500 .
C19 Cl2 1.534(10) .
C19 Cl1 1.822(12) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
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
_geom_torsion_site_symmetry_1
Sn1 O1 C1 O2 -3.5(5) .
Sn1 O1 C1 C2 175.8(3) .
O2 C1 C2 C3 179.8(4) .
O1 C1 C2 C3 0.6(6) .
O2 C1 C2 C7 1.0(7) .
O1 C1 C2 C7 -178.3(4) .
C7 C2 C3 C4 -1.4(7) .
C1 C2 C3 C4 179.7(4) .
C2 C3 C4 C5 0.7(7) .
C3 C4 C5 C6 0.1(7) .
C3 C4 C5 P1 -174.4(4) .
C4 C5 C6 C7 -0.2(7) .
P1 C5 C6 C7 174.7(4) .
C5 C6 C7 C2 -0.5(7) .
C3 C2 C7 C6 1.3(7) .
C1 C2 C7 C6 -179.8(4) .
C4 C5 P1 C1B -114.4(4) .
C6 C5 P1 C1B 71.0(4) .
C4 C5 P1 C1A -8.5(4) .
C6 C5 P1 C1A 176.9(4) .
C1B P1 C1A C6A 13.3(4) .
C5 P1 C1A C6A -92.3(4) .
C1B P1 C1A C2A -164.3(4) .
C5 P1 C1A C2A 90.0(4) .
C6A C1A C2A C3A 0.6(7) .
P1 C1A C2A C3A 178.4(4) .
C1A C2A C3A C4A -0.6(8) .
C2A C3A C4A C5A 0.3(8) .
C3A C4A C5A C6A 0.0(8) .
C4A C5A C6A C1A 0.0(8) .
C2A C1A C6A C5A -0.2(7) .
P1 C1A C6A C5A -177.9(4) .
C1A P1 C1B C6B 103.6(4) .
C5 P1 C1B C6B -150.2(4) .
C1A P1 C1B C2B -73.5(4) .
C5 P1 C1B C2B 32.6(4) .
C6B C1B C2B C3B -1.7(7) .
P1 C1B C2B C3B 175.4(4) .
C1B C2B C3B C4B 0.4(7) .
C2B C3B C4B C5B 1.2(7) .
C3B C4B C5B C6B -1.4(8) .
C4B C5B C6B C1B 0.1(8) .
C2B C1B C6B C5B 1.5(7) .
P1 C1B C6B C5B -175.8(4) .
Sn1 O4 C8 O3 6.1(7) .
Sn1 O4 C8 C9 -174.2(3) .
Sn2 O3 C8 O4 43.0(6) 2_556
Sn2 O3 C8 C9 -136.7(3) 2_556
O4 C8 C9 C14 -10.3(7) .
O3 C8 C9 C14 169.5(4) .
O4 C8 C9 C10 173.2(4) .
O3 C8 C9 C10 -7.1(6) .
C14 C9 C10 C11 0.1(7) .
C8 C9 C10 C11 176.7(4) .
C9 C10 C11 C12 -1.4(8) .
C10 C11 C12 C13 1.6(8) .
C10 C11 C12 P2 -177.0(4) .
C11 C12 C13 C14 -0.3(8) .
P2 C12 C13 C14 178.1(4) .
C12 C13 C14 C9 -1.0(8) .
C10 C9 C14 C13 1.1(7) .
C8 C9 C14 C13 -175.5(5) .
C11 C12 P2 C1D -108.7(4) .
C13 C12 P2 C1D 72.9(5) .
C11 C12 P2 C1C 146.7(4) .
C13 C12 P2 C1C -31.8(5) .
C1D P2 C1C C6C -26.6(5) .
C12 P2 C1C C6C 78.9(5) .
C1D P2 C1C C2C 153.1(4) .
C12 P2 C1C C2C -101.4(4) .
C6C C1C C2C C3C -1.2(8) .
P2 C1C C2C C3C 179.0(5) .
C1C C2C C3C C4C -0.5(9) .
C2C C3C C4C C5C 1.1(9) .
C3C C4C C5C C6C 0.0(9) .
C2C C1C C6C C5C 2.3(8) .
P2 C1C C6C C5C -178.0(4) .
C4C C5C C6C C1C -1.6(8) .
C1C P2 C1D C6D 113.5(6) .
C12 P2 C1D C6D 8.1(6) .
C1C P2 C1D C2D -69.4(5) .
C12 P2 C1D C2D -174.8(4) .
C6D C1D C2D C3D -0.4(9) .
P2 C1D C2D C3D -177.8(5) .
C1D C2D C3D C4D -0.3(10) .
C2D C3D C4D C5D 0.5(11) .
C3D C4D C5D C6D 0.2(12) .
C2D C1D C6D C5D 1.1(10) .
P2 C1D C6D C5D 178.1(6) .
C4D C5D C6D C1D -1.0(12) .
