#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/32/2213201.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2213201
loop_
_publ_author_name
'Teo, Yin Yin'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 Bis[1,2-bis(diphenylphosphino)ethane-κ²P,P']silver(I)
 bis(chlorodifluoroacetato-κO)(cyclohexyl)diphenylstannate(IV)
;
_journal_coeditor_code           CI2314
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1365
_journal_page_last               m1367
_journal_paper_doi               10.1107/S1600536807016662
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ag (C26 H24 P2)2] [Sn (C6 H5)2 (C6 H11) (C2 Cl F2 O2)2]'
_chemical_formula_moiety         'C52 H48 Ag1 P4 +, C22 H21 Cl2 F4 O4 Sn1 -'
_chemical_formula_sum            'C74 H69 Ag Cl2 F4 O4 P4 Sn'
_chemical_formula_weight         1519.63
_chemical_name_systematic
;
Bis[1,2-bis(diphenylphosphino)ethane-κ²P,P']silver(I)
bis(chlorodifluoroacetato-\kO)(cyclohexyl)diphenylstannate(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.5820(10)
_cell_angle_beta                 94.6410(10)
_cell_angle_gamma                105.5500(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7453(2)
_cell_length_b                   14.7704(2)
_cell_length_c                   21.1302(3)
_cell_measurement_reflns_used    6891
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.8
_cell_measurement_theta_min      2.4
_cell_volume                     3474.62(9)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            54063
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.869
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.61
_refine_diff_density_min         -1.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.30
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1252
_refine_ls_number_reflns         15831
_refine_ls_number_restraints     1021
_refine_ls_restrained_S_all      1.35
_refine_ls_R_factor_all          0.066
_refine_ls_R_factor_gt           0.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0845P)²+3.9457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.142
_refine_ls_wR_factor_ref         0.168
_reflns_number_gt                12918
_reflns_number_total             15831
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci2314.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2213201
_cod_database_fobs_code          2213201
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.3267(2) 0.59216(18) 0.32429(11) 0.0212(3) Uani d PD 0.50 A 1
Cl Cl1 0.0997(5) 0.6435(5) 0.1041(2) 0.1227(17) Uani d PDU 0.50 A 1
Cl Cl2 0.3641(7) 0.3912(4) 0.5195(3) 0.1347(19) Uani d PDU 0.50 A 1
F F1 0.3208(9) 0.7336(8) 0.0968(5) 0.1227(17) Uani d PD 0.50 A 1
F F2 0.2868(10) 0.5924(7) 0.1070(5) 0.1227(17) Uani d PD 0.50 A 1
F F3 0.2002(11) 0.4661(11) 0.5251(6) 0.1347(19) Uani d PD 0.50 A 1
F F4 0.3817(12) 0.5544(7) 0.5354(6) 0.1347(19) Uani d PD 0.50 A 1
O O1 0.3210(5) 0.6452(4) 0.2283(3) 0.0295(14) Uani d PDU 0.50 A 1
O O2 0.2339(9) 0.7636(6) 0.2241(4) 0.078(3) Uani d PDU 0.50 A 1
O O3 0.3200(17) 0.5560(9) 0.4207(5) 0.028(3) Uani d PDU 0.50 A 1
O O4 0.2743(11) 0.3977(9) 0.3921(6) 0.042(3) Uani d PDU 0.50 A 1
C C1 0.4186(4) 0.7304(3) 0.3792(2) 0.0217(16) Uani d PGDU 0.50 A 1
C C2 0.5028(5) 0.7330(3) 0.4301(2) 0.0273(15) Uani d PGU 0.50 A 1
H H2 0.5165 0.6756 0.4399 0.033 Uiso calc PR 0.50 A 1
C C3 0.5671(4) 0.8197(3) 0.4666(2) 0.0278(16) Uani d PGU 0.50 A 1
H H3 0.6247 0.8215 0.5014 0.033 Uiso calc PR 0.50 A 1
C C4 0.5472(5) 0.9038(3) 0.4523(2) 0.0280(16) Uani d PGU 0.50 A 1
H H4 0.5911 0.9630 0.4773 0.034 Uiso calc PR 0.50 A 1
C C5 0.4629(5) 0.9012(3) 0.4014(3) 0.028(2) Uani d PGU 0.50 A 1
H H5 0.4493 0.9586 0.3916 0.034 Uiso calc PR 0.50 A 1
C C6 0.3987(5) 0.8145(3) 0.3649(2) 0.0262(15) Uani d PGU 0.50 A 1
H H6 0.3411 0.8127 0.3301 0.031 Uiso calc PR 0.50 A 1
C C7 0.1348(8) 0.5250(16) 0.3047(7) 0.025(3) Uani d PGDU 0.50 A 1
C C8 0.0643(12) 0.5119(17) 0.3543(5) 0.038(6) Uani d PGU 0.50 A 1
H H8 0.0987 0.5350 0.3977 0.046 Uiso calc PR 0.50 A 1
C C9 -0.0566(12) 0.4652(14) 0.3405(5) 0.050(4) Uani d PGU 0.50 A 1
H H9 -0.1048 0.4562 0.3744 0.060 Uiso calc PR 0.50 A 1
C C10 -0.1069(7) 0.4315(10) 0.2770(5) 0.036(3) Uani d PGU 0.50 A 1
H H10 -0.1895 0.3995 0.2676 0.044 Uiso calc PR 0.50 A 1
C C11 -0.0364(8) 0.4445(9) 0.2274(4) 0.037(3) Uani d PGU 0.50 A 1
H H11 -0.0707 0.4215 0.1841 0.045 Uiso calc PR 0.50 A 1
C C12 0.0845(8) 0.4913(12) 0.2412(6) 0.038(3) Uani d PGU 0.50 A 1
H H12 0.1328 0.5003 0.2073 0.046 Uiso calc PR 0.50 A 1
C C13 0.4290(12) 0.5027(12) 0.2852(9) 0.028(5) Uani d PDU 0.50 A 1
H H13 0.4453 0.4632 0.3179 0.033 Uiso calc PR 0.50 A 1
C C14 0.3640(12) 0.4362(11) 0.2236(8) 0.033(4) Uani d PDU 0.50 A 1
H H14A 0.2895 0.3932 0.2334 0.040 Uiso calc PR 0.50 A 1
H H14B 0.3422 0.4746 0.1920 0.040 Uiso calc PR 0.50 A 1
C C15 0.4401(13) 0.3769(11) 0.1939(9) 0.058(5) Uani d PDU 0.50 A 1
H H15A 0.4044 0.3487 0.1492 0.069 Uiso calc PR 0.50 A 1
H H15B 0.4385 0.3239 0.2183 0.069 Uiso calc PR 0.50 A 1
C C16 0.5693(13) 0.4329(12) 0.1931(8) 0.062(5) Uani d PDU 0.50 A 1
H H16A 0.6169 0.3870 0.1874 0.074 Uiso calc PR 0.50 A 1
H H16B 0.5735 0.4654 0.1549 0.074 Uiso calc PR 0.50 A 1
C C17 0.6279(11) 0.5068(11) 0.2517(7) 0.056(4) Uani d PDU 0.50 A 1
H H17A 0.7031 0.5486 0.2416 0.067 Uiso calc PR 0.50 A 1
H H17B 0.6476 0.4744 0.2874 0.067 Uiso calc PR 0.50 A 1
C C18 0.5466(13) 0.5674(9) 0.2728(8) 0.043(4) Uani d PDU 0.50 A 1
H H18A 0.5849 0.6125 0.3125 0.051 Uiso calc PR 0.50 A 1
H H18B 0.5326 0.6048 0.2389 0.051 Uiso calc PR 0.50 A 1
C C19 0.2694(5) 0.6960(5) 0.2005(4) 0.040(2) Uani d PDU 0.50 A 1
C C20 0.2499(7) 0.6690(6) 0.1274(4) 0.051(3) Uani d PDU 0.50 A 1
C C21 0.2977(8) 0.4727(9) 0.4304(6) 0.059(6) Uani d PDU 0.50 A 1
C C22 0.3034(11) 0.4748(7) 0.5018(5) 0.058(4) Uani d PDU 0.50 A 1
Sn Sn1' 0.3038(2) 0.5812(2) 0.31102(11) 0.0292(4) Uani d PD 0.50 B 2
Cl Cl1' 0.2833(6) 0.5241(4) 0.0652(3) 0.1173(14) Uani d PDU 0.50 B 2
Cl Cl2' 0.3929(2) 0.5095(2) 0.55380(13) 0.0527(5) Uani d PDU 0.50 B 2
F F1' 0.1086(10) 0.5710(8) 0.0934(6) 0.1173(14) Uani d PD 0.50 B 2
F F2' 0.2367(12) 0.6816(7) 0.0637(6) 0.1173(14) Uani d PD 0.50 B 2
F F3' 0.1830(6) 0.4559(7) 0.5093(3) 0.0527(5) Uani d PD 0.50 B 2
F F4' 0.2678(6) 0.3484(5) 0.5017(3) 0.0527(5) Uani d PD 0.50 B 2
O O1' 0.2710(12) 0.6059(8) 0.2095(4) 0.083(3) Uani d PDU 0.50 B 2
O O2' 0.3684(10) 0.7266(7) 0.1707(6) 0.103(4) Uani d PDU 0.50 B 2
O O3' 0.3313(17) 0.5416(8) 0.4116(5) 0.030(3) Uani d PDU 0.50 B 2
O O4' 0.3060(9) 0.3869(8) 0.3860(6) 0.030(2) Uani d PDU 0.50 B 2
C C1' 0.3646(5) 0.7312(3) 0.3484(3) 0.0313(17) Uani d PGDU 0.50 B 2
C C2' 0.4628(5) 0.7677(4) 0.3950(3) 0.037(2) Uani d PGU 0.50 B 2
H H2' 0.5021 0.7261 0.4120 0.044 Uiso calc PR 0.50 B 2
C C3' 0.5036(5) 0.8652(4) 0.4167(3) 0.040(2) Uani d PGU 0.50 B 2
H H3' 0.5707 0.8901 0.4486 0.048 Uiso calc PR 0.50 B 2
C C4' 0.4462(6) 0.9261(3) 0.3919(3) 0.039(3) Uani d PGU 0.50 B 2
H H4' 0.4740 0.9927 0.4068 0.047 Uiso calc PR 0.50 B 2
C C5' 0.3480(6) 0.8896(4) 0.3454(3) 0.040(2) Uani d PGU 0.50 B 2
H H5' 0.3087 0.9312 0.3284 0.048 Uiso calc PR 0.50 B 2
C C6' 0.3072(4) 0.7921(4) 0.3236(3) 0.0349(18) Uani d PGU 0.50 B 2
H H6' 0.2401 0.7672 0.2918 0.042 Uiso calc PR 0.50 B 2
C C7' 0.1182(8) 0.5196(18) 0.3038(8) 0.039(5) Uani d PGDU 0.50 B 2
C C8' 0.0626(12) 0.5157(19) 0.3594(6) 0.043(6) Uani d PGU 0.50 B 2
H H8' 0.1077 0.5425 0.4001 0.052 Uiso calc PR 0.50 B 2
C C9' -0.0591(12) 0.4725(15) 0.3553(5) 0.049(4) Uani d PGU 0.50 B 2
H H9' -0.0971 0.4698 0.3933 0.058 Uiso calc PR 0.50 B 2
C C10' -0.1251(8) 0.4333(10) 0.2957(6) 0.052(4) Uani d PGU 0.50 B 2
H H10' -0.2082 0.4038 0.2930 0.062 Uiso calc PR 0.50 B 2
C C11' -0.0694(10) 0.4372(9) 0.2401(5) 0.043(3) Uani d PGU 0.50 B 2
H H11' -0.1146 0.4103 0.1994 0.051 Uiso calc PR 0.50 B 2
C C12' 0.0522(10) 0.4803(12) 0.2441(6) 0.039(3) Uani d PGU 0.50 B 2
H H12' 0.0902 0.4830 0.2061 0.047 Uiso calc PR 0.50 B 2
C C13' 0.4352(14) 0.5122(11) 0.2808(10) 0.033(6) Uani d PDU 0.50 B 2
H H13' 0.4696 0.4930 0.3200 0.039 Uiso calc PR 0.50 B 2
C C14' 0.3675(12) 0.4201(10) 0.2359(8) 0.032(4) Uani d PDU 0.50 B 2
H H14C 0.3219 0.4354 0.1994 0.038 Uiso calc PR 0.50 B 2
H H14D 0.3102 0.3794 0.2595 0.038 Uiso calc PR 0.50 B 2
C C15' 0.4528(14) 0.3653(8) 0.2102(8) 0.046(4) Uani d PDU 0.50 B 2
H H15C 0.4073 0.3064 0.1809 0.056 Uiso calc PR 0.50 B 2
H H15D 0.4963 0.3471 0.2464 0.056 Uiso calc PR 0.50 B 2
C C16' 0.5425(13) 0.4302(10) 0.1735(7) 0.052(4) Uani d PDU 0.50 B 2
H H16C 0.5927 0.3944 0.1520 0.062 Uiso calc PR 0.50 B 2
H H16D 0.4999 0.4553 0.1407 0.062 Uiso calc PR 0.50 B 2
C C17' 0.6189(10) 0.5118(9) 0.2255(6) 0.038(3) Uani d PDU 0.50 B 2
H H17C 0.6541 0.4854 0.2605 0.046 Uiso calc PR 0.50 B 2
H H17D 0.6845 0.5526 0.2067 0.046 Uiso calc PR 0.50 B 2
C C18' 0.5389(14) 0.5703(9) 0.2522(7) 0.041(4) Uani d PDU 0.50 B 2
H H18C 0.5872 0.6229 0.2858 0.049 Uiso calc PR 0.50 B 2
H H18D 0.5081 0.5990 0.2172 0.049 Uiso calc PR 0.50 B 2
C C19' 0.2908(7) 0.6481(6) 0.1643(4) 0.068(3) Uani d PDU 0.50 B 2
C C20' 0.2253(10) 0.6095(7) 0.0986(4) 0.074(4) Uani d PDU 0.50 B 2
C C21' 0.3107(7) 0.4593(7) 0.4248(4) 0.0154(19) Uani d PDU 0.50 B 2
C C22' 0.2883(10) 0.4406(7) 0.4935(4) 0.030(2) Uani d PDU 0.50 B 2
Ag Ag1 0.83481(2) 1.043954(19) 0.233263(13) 0.02338(9) Uani d . 1 C .
P P1 0.95430(10) 1.13312(9) 0.33567(5) 0.0351(3) Uani d D 1 . .
P P2 1.01377(8) 1.11636(8) 0.18360(5) 0.0254(2) Uani d D 1 . .
P P3 0.74021(11) 0.87088(7) 0.22093(6) 0.0346(3) Uani d D 1 . .
P P4 0.62866(9) 1.05532(7) 0.20820(5) 0.0277(2) Uani d D 1 . .
C C23 1.0438(5) 1.0535(4) 0.3782(2) 0.0232(18) Uani d PGDU 0.50 C 3
C C24 1.0833(5) 1.0735(4) 0.4437(2) 0.0336(18) Uani d PGU 0.50 C 3
H H24 1.0687 1.1260 0.4696 0.040 Uiso calc PR 0.50 C 3
C C25 1.1441(6) 1.0169(4) 0.4713(2) 0.042(2) Uani d PGU 0.50 C 3
H H25 1.1711 1.0306 0.5161 0.051 Uiso calc PR 0.50 C 3
C C26 1.1654(5) 0.9402(4) 0.4334(3) 0.038(2) Uani d PGU 0.50 C 3
H H26 1.2070 0.9015 0.4523 0.046 Uiso calc PR 0.50 C 3
C C27 1.1259(5) 0.9201(3) 0.3680(3) 0.0364(19) Uani d PGU 0.50 C 3
H H27 1.1405 0.8677 0.3421 0.044 Uiso calc PR 0.50 C 3
C C28 1.0651(5) 0.9768(4) 0.34035(19) 0.0280(16) Uani d PGU 0.50 C 3
H H28 1.0381 0.9630 0.2956 0.034 Uiso calc PR 0.50 C 3
C C29 0.9044(6) 1.1842(6) 0.4057(3) 0.024(2) Uani d PGDU 0.50 C 3
C C30 0.8012(6) 1.1321(4) 0.4266(3) 0.0315(19) Uani d PGU 0.50 C 3
H H30 0.7642 1.0681 0.4068 0.038 Uiso calc PR 0.50 C 3
C C31 0.7521(6) 1.1735(5) 0.4764(3) 0.041(2) Uani d PGU 0.50 C 3
H H31 0.6815 1.1379 0.4906 0.049 Uiso calc PR 0.50 C 3
C C32 0.8062(7) 1.2672(5) 0.5053(3) 0.042(3) Uani d PGU 0.50 C 3
H H32 0.7726 1.2955 0.5393 0.051 Uiso calc PR 0.50 C 3
C C33 0.9094(8) 1.3193(4) 0.4844(5) 0.051(4) Uani d PGU 0.50 C 3
H H33 0.9464 1.3833 0.5042 0.061 Uiso calc PR 0.50 C 3
C C34 0.9585(7) 1.2778(6) 0.4346(5) 0.040(3) Uani d PGU 0.50 C 3
H H34 1.0291 1.3134 0.4204 0.048 Uiso calc PR 0.50 C 3
C C23' 1.0558(4) 1.0982(4) 0.3781(2) 0.0219(17) Uani d PGDU 0.50 C 4
C C24' 1.1553(4) 1.1608(3) 0.4159(3) 0.0284(16) Uani d PGU 0.50 C 4
H H24' 1.1704 1.2274 0.4168 0.034 Uiso calc PR 0.50 C 4
C C25' 1.2326(4) 1.1257(3) 0.4524(3) 0.0333(18) Uani d PGU 0.50 C 4
H H25' 1.3007 1.1685 0.4782 0.040 Uiso calc PR 0.50 C 4
C C26' 1.2105(5) 1.0282(4) 0.4512(3) 0.0343(18) Uani d PGU 0.50 C 4
H H26' 1.2633 1.0043 0.4761 0.041 Uiso calc PR 0.50 C 4
C C27' 1.1109(5) 0.9657(3) 0.4134(3) 0.038(2) Uani d PGU 0.50 C 4
H H27' 1.0958 0.8990 0.4125 0.046 Uiso calc PR 0.50 C 4
C C28' 1.0336(4) 1.0007(3) 0.3769(3) 0.0287(17) Uani d PGU 0.50 C 4
H H28' 0.9656 0.9579 0.3511 0.034 Uiso calc PR 0.50 C 4
C C29' 0.8794(6) 1.1990(6) 0.3937(4) 0.024(2) Uani d PGDU 0.50 C 4
C C30' 0.7662(6) 1.1517(5) 0.4062(3) 0.039(2) Uani d PGU 0.50 C 4
H H30' 0.7256 1.0908 0.3823 0.046 Uiso calc PR 0.50 C 4
C C31' 0.7123(6) 1.1936(6) 0.4535(3) 0.045(2) Uani d PGU 0.50 C 4
H H31' 0.6349 1.1613 0.4620 0.053 Uiso calc PR 0.50 C 4
C C32' 0.7717(8) 1.2827(6) 0.4884(4) 0.047(3) Uani d PGU 0.50 C 4
H H32' 0.7349 1.3113 0.5208 0.057 Uiso calc PR 0.50 C 4
C C33' 0.8849(8) 1.3299(5) 0.4760(5) 0.055(4) Uani d PGU 0.50 C 4
H H33' 0.9255 1.3909 0.4999 0.067 Uiso calc PR 0.50 C 4
C C34' 0.9388(6) 1.2881(6) 0.4287(5) 0.047(4) Uani d PGU 0.50 C 4
H H34' 1.0162 1.3204 0.4202 0.056 Uiso calc PR 0.50 C 4
C C35 1.0601(6) 1.2298(4) 0.3057(3) 0.071(2) Uani d U 1 C .
H H35A 1.0174 1.2732 0.2896 0.085 Uiso calc R 1 . .
H H35B 1.1216 1.2670 0.3413 0.085 Uiso calc R 1 . .
C C36 1.1200(4) 1.1889(4) 0.2513(2) 0.0450(12) Uani d U 1 C .
H H36A 1.1674 1.1495 0.2687 0.054 Uiso calc R 1 . .
H H36B 1.1755 1.2421 0.2356 0.054 Uiso calc R 1 . .
C C37 1.0094(5) 1.1699(4) 0.1123(2) 0.0283(16) Uani d PGDU 0.50 C 3
C C38 1.0335(7) 1.2683(4) 0.1183(2) 0.049(3) Uani d PGU 0.50 C 3
H H38 1.0564 1.3065 0.1596 0.059 Uiso calc PR 0.50 C 3
C C39 1.0241(8) 1.3107(3) 0.0639(3) 0.059(3) Uani d PGU 0.50 C 3
H H39 1.0405 1.3779 0.0680 0.071 Uiso calc PR 0.50 C 3
C C40 0.9905(7) 1.2547(4) 0.0035(3) 0.049(2) Uani d PGU 0.50 C 3
H H40 0.9841 1.2837 -0.0336 0.059 Uiso calc PR 0.50 C 3
C C41 0.9665(6) 1.1564(4) -0.00245(19) 0.039(2) Uani d PGU 0.50 C 3
H H41 0.9436 1.1181 -0.0437 0.047 Uiso calc PR 0.50 C 3
C C42 0.9759(5) 1.1140(3) 0.0519(3) 0.0292(16) Uani d PGU 0.50 C 3
H H42 0.9595 1.0467 0.0479 0.035 Uiso calc PR 0.50 C 3
C C43 1.1035(4) 1.0292(4) 0.1636(3) 0.0289(18) Uani d PGDU 0.50 C 3
C C44 1.0775(4) 0.9427(4) 0.1863(3) 0.0339(18) Uani d PGU 0.50 C 3
H H44 1.0118 0.9254 0.2100 0.041 Uiso calc PR 0.50 C 3
C C45 1.1477(5) 0.8816(4) 0.1744(3) 0.042(2) Uani d PGU 0.50 C 3
H H45 1.1300 0.8225 0.1900 0.050 Uiso calc PR 0.50 C 3
C C46 1.2439(5) 0.9069(4) 0.1398(3) 0.043(2) Uani d PGU 0.50 C 3
H H46 1.2919 0.8651 0.1316 0.051 Uiso calc PR 0.50 C 3
C C47 1.2699(4) 0.9934(4) 0.1170(3) 0.044(2) Uani d PGU 0.50 C 3
H H47 1.3356 1.0107 0.0933 0.053 Uiso calc PR 0.50 C 3
C C48 1.1997(5) 1.0545(4) 0.1289(3) 0.0349(18) Uani d PGU 0.50 C 3
H H48 1.2174 1.1136 0.1134 0.042 Uiso calc PR 0.50 C 3
C C37' 1.0022(4) 1.2159(3) 0.1379(2) 0.0222(14) Uani d PGDU 0.50 C 4
C C38' 1.1006(3) 1.2865(4) 0.1274(3) 0.0276(17) Uani d PGU 0.50 C 4
H H38' 1.1780 1.2888 0.1460 0.033 Uiso calc PR 0.50 C 4
C C39' 1.0860(4) 1.3538(4) 0.0896(3) 0.0363(19) Uani d PGU 0.50 C 4
H H39' 1.1533 1.4021 0.0824 0.044 Uiso calc PR 0.50 C 4
C C40' 0.9729(5) 1.3505(4) 0.0625(3) 0.039(2) Uani d PGU 0.50 C 4
H H40' 0.9629 1.3965 0.0367 0.047 Uiso calc PR 0.50 C 4
C C41' 0.8744(4) 1.2799(4) 0.0730(3) 0.0379(19) Uani d PGU 0.50 C 4
H H41' 0.7971 1.2776 0.0544 0.046 Uiso calc PR 0.50 C 4
C C42' 0.8890(4) 1.2126(3) 0.1108(3) 0.0279(16) Uani d PGU 0.50 C 4
H H42' 0.8217 1.1643 0.1180 0.033 Uiso calc PR 0.50 C 4
C C43' 1.0957(5) 1.0515(4) 0.1367(2) 0.0229(15) Uani d PGDU 0.50 C 4
C C44' 1.1335(6) 0.9829(4) 0.1647(2) 0.039(2) Uani d PGU 0.50 C 4
H H44' 1.1261 0.9785 0.2087 0.047 Uiso calc PR 0.50 C 4
C C45' 1.1822(6) 0.9206(4) 0.1282(3) 0.043(2) Uani d PGU 0.50 C 4
H H45' 1.2081 0.8737 0.1474 0.052 Uiso calc PR 0.50 C 4
C C46' 1.1931(6) 0.9270(4) 0.0638(3) 0.0378(19) Uani d PGU 0.50 C 4
H H46' 1.2263 0.8844 0.0389 0.045 Uiso calc PR 0.50 C 4
C C47' 1.1552(6) 0.9956(5) 0.0359(2) 0.048(2) Uani d PGU 0.50 C 4
H H47' 1.1626 1.0000 -0.0081 0.058 Uiso calc PR 0.50 C 4
C C48' 1.1065(6) 1.0579(4) 0.0723(3) 0.039(2) Uani d PGU 0.50 C 4
H H48' 1.0807 1.1048 0.0532 0.047 Uiso calc PR 0.50 C 4
C C49 0.7244(9) 0.7974(7) 0.1445(3) 0.030(3) Uani d PGDU 0.50 C 5
C C50 0.6254(8) 0.7197(8) 0.1234(5) 0.042(3) Uani d PGU 0.50 C 5
H H50 0.5629 0.7049 0.1494 0.051 Uiso calc PR 0.50 C 5
C C51 0.6180(8) 0.6638(6) 0.0640(5) 0.055(5) Uani d PGU 0.50 C 5
H H51 0.5503 0.6107 0.0496 0.066 Uiso calc PR 0.50 C 5
C C52 0.7095(9) 0.6854(6) 0.0259(4) 0.056(4) Uani d PGU 0.50 C 5
H H52 0.7044 0.6472 -0.0147 0.067 Uiso calc PR 0.50 C 5
C C53 0.8085(8) 0.7631(6) 0.0470(3) 0.059(3) Uani d PGU 0.50 C 5
H H53 0.8710 0.7779 0.0210 0.070 Uiso calc PR 0.50 C 5
C C54 0.8159(7) 0.8190(5) 0.1064(3) 0.047(2) Uani d PGU 0.50 C 5
H H54 0.8836 0.8721 0.1208 0.056 Uiso calc PR 0.50 C 5
C C55 0.8058(10) 0.8057(8) 0.2796(4) 0.026(3) Uani d PGDU 0.50 C 5
C C56 0.8742(13) 0.7484(11) 0.2559(4) 0.036(4) Uani d PGU 0.50 C 5
H H56 0.8861 0.7424 0.2117 0.043 Uiso calc PR 0.50 C 5
C C57 0.9253(13) 0.6998(10) 0.2967(6) 0.041(3) Uani d PGU 0.50 C 5
H H57 0.9721 0.6606 0.2805 0.049 Uiso calc PR 0.50 C 5
C C58 0.9080(10) 0.7085(9) 0.3613(6) 0.040(3) Uani d PGU 0.50 C 5
H H58 0.9429 0.6753 0.3892 0.048 Uiso calc PR 0.50 C 5
C C59 0.8396(8) 0.7658(9) 0.3850(4) 0.041(3) Uani d PGU 0.50 C 5
H H59 0.8277 0.7718 0.4291 0.049 Uiso calc PR 0.50 C 5
C C60 0.7885(7) 0.8144(7) 0.3441(5) 0.033(3) Uani d PGU 0.50 C 5
H H60 0.7417 0.8536 0.3603 0.040 Uiso calc PR 0.50 C 5
C C49' 0.7158(9) 0.8031(7) 0.1369(3) 0.045(5) Uani d PGDU 0.50 C 6
C C50' 0.6530(11) 0.7071(7) 0.1252(5) 0.050(4) Uani d PGU 0.50 C 6
H H50' 0.6232 0.6761 0.1596 0.059 Uiso calc PR 0.50 C 6
C C51' 0.6339(11) 0.6564(5) 0.0631(6) 0.076(8) Uani d PGU 0.50 C 6
H H51' 0.5910 0.5908 0.0551 0.091 Uiso calc PR 0.50 C 6
C C52' 0.6775(9) 0.7017(7) 0.0128(4) 0.067(5) Uani d PGU 0.50 C 6
H H52' 0.6644 0.6671 -0.0296 0.080 Uiso calc PR 0.50 C 6
C C53' 0.7402(7) 0.7977(7) 0.0246(3) 0.055(3) Uani d PGU 0.50 C 6
H H53' 0.7700 0.8287 -0.0098 0.067 Uiso calc PR 0.50 C 6
C C54' 0.7594(6) 0.8484(5) 0.0866(3) 0.039(2) Uani d PGU 0.50 C 6
H H54' 0.8023 0.9140 0.0946 0.047 Uiso calc PR 0.50 C 6
C C55' 0.7755(10) 0.7936(8) 0.2709(4) 0.027(3) Uani d PGDU 0.50 C 6
C C56' 0.8548(13) 0.7418(12) 0.2551(5) 0.042(5) Uani d PGU 0.50 C 6
H H56' 0.8751 0.7345 0.2125 0.050 Uiso calc PR 0.50 C 6
C C57' 0.9044(13) 0.7005(12) 0.3016(7) 0.050(4) Uani d PGU 0.50 C 6
H H57' 0.9586 0.6651 0.2907 0.060 Uiso calc PR 0.50 C 6
C C58' 0.8747(10) 0.7110(10) 0.3639(6) 0.043(3) Uani d PGU 0.50 C 6
H H58' 0.9086 0.6828 0.3957 0.051 Uiso calc PR 0.50 C 6
C C59' 0.7953(7) 0.7629(8) 0.3798(4) 0.036(3) Uani d PGU 0.50 C 6
H H59' 0.7750 0.7701 0.4224 0.044 Uiso calc PR 0.50 C 6
C C60' 0.7457(7) 0.8041(6) 0.3333(5) 0.028(2) Uani d PGU 0.50 C 6
H H60' 0.6915 0.8395 0.3441 0.034 Uiso calc PR 0.50 C 6
C C61 0.5866(5) 0.8688(3) 0.2363(3) 0.0544(15) Uani d U 1 C .
H H61A 0.5347 0.8024 0.2269 0.065 Uiso calc R 1 . .
H H61B 0.5863 0.8933 0.2822 0.065 Uiso calc R 1 . .
C C62 0.5384(4) 0.9294(3) 0.1945(3) 0.0520(14) Uani d U 1 C .
H H62A 0.4560 0.9265 0.2030 0.062 Uiso calc R 1 . .
H H62B 0.5354 0.9024 0.1487 0.062 Uiso calc R 1 . .
C C63 0.5484(7) 1.1143(5) 0.2659(4) 0.026(3) Uani d PGDU 0.50 C 5
C C64 0.4438(7) 1.0673(4) 0.2882(4) 0.032(2) Uani d PGU 0.50 C 5
H H64 0.4076 1.0015 0.2728 0.039 Uiso calc PR 0.50 C 5
C C65 0.3922(6) 1.1165(6) 0.3328(4) 0.043(3) Uani d PGU 0.50 C 5
H H65 0.3208 1.0844 0.3479 0.051 Uiso calc PR 0.50 C 5
C C66 0.4451(8) 1.2128(5) 0.3552(4) 0.042(3) Uani d PGU 0.50 C 5
H H66 0.4099 1.2464 0.3856 0.051 Uiso calc PR 0.50 C 5
C C67 0.5497(8) 1.2598(4) 0.3329(4) 0.056(3) Uani d PGU 0.50 C 5
H H67 0.5859 1.3256 0.3483 0.067 Uiso calc PR 0.50 C 5
C C68 0.6013(7) 1.2106(5) 0.2883(4) 0.048(3) Uani d PGU 0.50 C 5
H H68 0.6727 1.2427 0.2732 0.058 Uiso calc PR 0.50 C 5
C C69 0.5863(6) 1.0847(4) 0.13523(18) 0.025(2) Uani d PGDU 0.50 C 5
C C70 0.5839(5) 1.0271(3) 0.0773(2) 0.0261(15) Uani d PGU 0.50 C 5
H H70 0.6022 0.9682 0.0771 0.031 Uiso calc PR 0.50 C 5
C C71 0.5547(5) 1.0556(4) 0.01946(18) 0.0313(17) Uani d PGU 0.50 . 5
H H71 0.5530 1.0162 -0.0202 0.038 Uiso calc PR 0.50 C 5
C C72 0.5279(6) 1.1418(4) 0.0196(2) 0.0341(19) Uani d PGU 0.50 C 5
H H72 0.5079 1.1613 -0.0199 0.041 Uiso calc PR 0.50 C 5
C C73 0.5303(6) 1.1994(3) 0.0776(3) 0.0344(19) Uani d PGU 0.50 C 5
H H73 0.5120 1.2583 0.0777 0.041 Uiso calc PR 0.50 C 5
C C74 0.5595(6) 1.1709(4) 0.1354(2) 0.0275(16) Uani d PGU 0.50 C 5
H H74 0.5612 1.2103 0.1750 0.033 Uiso calc PR 0.50 C 5
C C63' 0.5761(6) 1.1219(4) 0.2714(3) 0.023(2) Uani d PGDU 0.50 C 6
C C64' 0.4560(6) 1.1006(4) 0.2793(3) 0.030(2) Uani d PGU 0.50 C 6
H H64' 0.4011 1.0458 0.2542 0.036 Uiso calc PR 0.50 C 6
C C65' 0.4161(4) 1.1594(5) 0.3238(3) 0.036(2) Uani d PGU 0.50 C 6
H H65' 0.3340 1.1448 0.3292 0.044 Uiso calc PR 0.50 C 6
C C66' 0.4965(6) 1.2395(5) 0.3605(3) 0.033(2) Uani d PGU 0.50 C 6
H H66' 0.4693 1.2797 0.3909 0.040 Uiso calc PR 0.50 C 6
C C67' 0.6166(5) 1.2608(4) 0.3526(3) 0.042(2) Uani d PGU 0.50 C 6
H H67' 0.6715 1.3156 0.3777 0.050 Uiso calc PR 0.50 C 6
C C68' 0.6565(5) 1.2020(5) 0.3081(3) 0.0307(18) Uani d PGU 0.50 C 6
H H68' 0.7386 1.2166 0.3027 0.037 Uiso calc PR 0.50 C 6
C C69' 0.5882(5) 1.1143(5) 0.1357(2) 0.026(2) Uani d PGDU 0.50 C 6
C C70' 0.6761(4) 1.1382(5) 0.0957(3) 0.041(2) Uani d PGU 0.50 C 6
H H70' 0.7504 1.1256 0.1046 0.049 Uiso calc PR 0.50 C 6
C C71' 0.6552(5) 1.1806(5) 0.0426(3) 0.049(2) Uani d PGU 0.50 C 6
H H71' 0.7153 1.1969 0.0152 0.059 Uiso calc PR 0.50 C 6
C C72' 0.5465(6) 1.1990(5) 0.0296(3) 0.042(2) Uani d PGU 0.50 C 6
H H72' 0.5322 1.2280 -0.0067 0.050 Uiso calc PR 0.50 C 6
C C73' 0.4585(4) 1.1751(5) 0.0696(3) 0.038(2) Uani d PGU 0.50 C 6
H H73' 0.3842 1.1878 0.0607 0.045 Uiso calc PR 0.50 C 6
C C74' 0.4794(4) 1.1328(5) 0.1227(2) 0.0283(16) Uani d PGU 0.50 C 6
H H74' 0.4193 1.1165 0.1501 0.034 Uiso calc PR 0.50 C 6
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'
O O 0.0106 0.0060 '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'
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'
Ag Ag -0.8971 1.1015 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C13 Sn1 C1 . . 119.1(5) ?
C13 Sn1 O3 . . 100.3(7) ?
C1 Sn1 O3 . . 80.9(4) ?
C13 Sn1 C7 . . 112.9(7) ?
C1 Sn1 C7 . . 128.0(6) ?
O3 Sn1 C7 . . 88.5(7) ?
C13 Sn1 O1 . . 87.5(6) ?
C1 Sn1 O1 . . 94.8(2) ?
O3 Sn1 O1 . . 172.1(5) ?
C7 Sn1 O1 . . 89.1(5) ?
C19 O1 Sn1 . . 138.0(5) ?
C21 O3 Sn1 . . 121.9(9) ?
C2 C1 C6 . . 120.0 ?
C2 C1 Sn1 . . 116.9(3) ?
C6 C1 Sn1 . . 123.1(3) ?
C3 C2 C1 . . 120.0 ?
C3 C2 H2 . . 120.0 ?
C1 C2 H2 . . 120.0 ?
C4 C3 C2 . . 120.0 ?
C4 C3 H3 . . 120.0 ?
C2 C3 H3 . . 120.0 ?
C3 C4 C5 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.0 ?
C4 C5 H5 . . 120.0 ?
C6 C5 H5 . . 120.0 ?
C5 C6 C1 . . 120.0 ?
C5 C6 H6 . . 120.0 ?
C1 C6 H6 . . 120.0 ?
C8 C7 C12 . . 120.0 ?
C8 C7 Sn1 . . 121.3(7) ?
C12 C7 Sn1 . . 118.6(7) ?
C7 C8 C9 . . 120.0 ?
C7 C8 H8 . . 120.0 ?
C9 C8 H8 . . 120.0 ?
C8 C9 C10 . . 120.0 ?
C8 C9 H9 . . 120.0 ?
C10 C9 H9 . . 120.0 ?
C9 C10 C11 . . 120.0 ?
C9 C10 H10 . . 120.0 ?
C11 C10 H10 . . 120.0 ?
C12 C11 C10 . . 120.0 ?
C12 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C11 C12 C7 . . 120.0 ?
C11 C12 H12 . . 120.0 ?
C7 C12 H12 . . 120.0 ?
C18 C13 C14 . . 111.1(11) ?
C18 C13 Sn1 . . 107.3(10) ?
C14 C13 Sn1 . . 112.3(10) ?
C18 C13 H13 . . 108.7 ?
C14 C13 H13 . . 108.7 ?
Sn1 C13 H13 . . 108.7 ?
C15 C14 C13 . . 111.9(9) ?
C15 C14 H14A . . 109.2 ?
C13 C14 H14A . . 109.2 ?
C15 C14 H14B . . 109.2 ?
C13 C14 H14B . . 109.2 ?
H14A C14 H14B . . 107.9 ?
C14 C15 C16 . . 114.0(10) ?
C14 C15 H15A . . 108.7 ?
C16 C15 H15A . . 108.7 ?
C14 C15 H15B . . 108.7 ?
C16 C15 H15B . . 108.7 ?
H15A C15 H15B . . 107.6 ?
C17 C16 C15 . . 116.9(10) ?
C17 C16 H16A . . 108.1 ?
C15 C16 H16A . . 108.1 ?
C17 C16 H16B . . 108.1 ?
C15 C16 H16B . . 108.1 ?
H16A C16 H16B . . 107.3 ?
C16 C17 C18 . . 111.5(10) ?
C16 C17 H17A . . 109.3 ?
C18 C17 H17A . . 109.3 ?
C16 C17 H17B . . 109.3 ?
C18 C17 H17B . . 109.3 ?
H17A C17 H17B . . 108.0 ?
C13 C18 C17 . . 109.1(9) ?
C13 C18 H18A . . 109.9 ?
C17 C18 H18A . . 109.9 ?
C13 C18 H18B . . 109.9 ?
C17 C18 H18B . . 109.9 ?
H18A C18 H18B . . 108.3 ?
O2 C19 O1 . . 129.3(8) ?
O2 C19 C20 . . 117.3(7) ?
O1 C19 C20 . . 113.5(7) ?
F2 C20 F1 . . 99.1(9) ?
F2 C20 C19 . . 112.5(7) ?
F1 C20 C19 . . 113.6(7) ?
F2 C20 Cl1 . . 109.1(7) ?
F1 C20 Cl1 . . 115.4(7) ?
C19 C20 Cl1 . . 107.1(5) ?
O4 C21 O3 . . 130.3(13) ?
O4 C21 C22 . . 122.4(11) ?
O3 C21 C22 . . 107.3(9) ?
F3 C22 F4 . . 107.3(10) ?
F3 C22 C21 . . 115.0(9) ?
F4 C22 C21 . . 112.9(10) ?
F3 C22 Cl2 . . 111.5(9) ?
F4 C22 Cl2 . . 101.9(8) ?
C21 C22 Cl2 . . 107.5(7) ?
C7' Sn1' C13' . . 127.1(8) ?
C7' Sn1' C1' . . 115.3(7) ?
C13' Sn1' C1' . . 117.5(5) ?
C7' Sn1' O1' . . 86.1(6) ?
C13' Sn1' O1' . . 88.3(7) ?
C1' Sn1' O1' . . 93.1(4) ?
C7' Sn1' O3' . . 91.6(7) ?
C13' Sn1' O3' . . 89.4(7) ?
C1' Sn1' O3' . . 92.0(4) ?
O1' Sn1' O3' . . 174.9(4) ?
C19' O1' Sn1' . . 154.9(10) ?
C21' O3' Sn1' . . 126.1(8) ?
C2' C1' C6' . . 120.0 ?
C2' C1' Sn1' . . 120.8(3) ?
C6' C1' Sn1' . . 119.1(3) ?
C3' C2' C1' . . 120.0 ?
C3' C2' H2' . . 120.0 ?
C1' C2' H2' . . 120.0 ?
C2' C3' C4' . . 120.0 ?
C2' C3' H3' . . 120.0 ?
C4' C3' H3' . . 120.0 ?
C3' C4' C5' . . 120.0 ?
C3' C4' H4' . . 120.0 ?
C5' C4' H4' . . 120.0 ?
C6' C5' C4' . . 120.0 ?
C6' C5' H5' . . 120.0 ?
C4' C5' H5' . . 120.0 ?
C5' C6' C1' . . 120.0 ?
C5' C6' H6' . . 120.0 ?
C1' C6' H6' . . 120.0 ?
C8' C7' C12' . . 120.0 ?
C8' C7' Sn1' . . 119.5(8) ?
C12' C7' Sn1' . . 120.5(8) ?
C9' C8' C7' . . 120.0 ?
C9' C8' H8' . . 120.0 ?
C7' C8' H8' . . 120.0 ?
C10' C9' C8' . . 120.0 ?
C10' C9' H9' . . 120.0 ?
C8' C9' H9' . . 120.0 ?
C9' C10' C11' . . 120.0 ?
C9' C10' H10' . . 120.0 ?
C11' C10' H10' . . 120.0 ?
C12' C11' C10' . . 120.0 ?
C12' C11' H11' . . 120.0 ?
C10' C11' H11' . . 120.0 ?
C11' C12' C7' . . 120.0 ?
C11' C12' H12' . . 120.0 ?
C7' C12' H12' . . 120.0 ?
C18' C13' C14' . . 112.5(10) ?
C18' C13' Sn1' . . 117.4(11) ?
C14' C13' Sn1' . . 106.6(10) ?
C18' C13' H13' . . 106.5 ?
C14' C13' H13' . . 106.5 ?
Sn1' C13' H13' . . 106.5 ?
C13' C14' C15' . . 111.3(9) ?
C13' C14' H14C . . 109.4 ?
C15' C14' H14C . . 109.4 ?
C13' C14' H14D . . 109.4 ?
C15' C14' H14D . . 109.4 ?
H14C C14' H14D . . 108.0 ?
C14' C15' C16' . . 108.7(10) ?
C14' C15' H15C . . 109.9 ?
C16' C15' H15C . . 109.9 ?
C14' C15' H15D . . 109.9 ?
C16' C15' H15D . . 109.9 ?
H15C C15' H15D . . 108.3 ?
C17' C16' C15' . . 105.1(9) ?
C17' C16' H16C . . 110.7 ?
C15' C16' H16C . . 110.7 ?
C17' C16' H16D . . 110.7 ?
C15' C16' H16D . . 110.7 ?
H16C C16' H16D . . 108.8 ?
C18' C17' C16' . . 108.3(9) ?
C18' C17' H17C . . 110.0 ?
C16' C17' H17C . . 110.0 ?
C18' C17' H17D . . 110.0 ?
C16' C17' H17D . . 110.0 ?
H17C C17' H17D . . 108.4 ?
C13' C18' C17' . . 113.1(9) ?
C13' C18' H18C . . 109.0 ?
C17' C18' H18C . . 109.0 ?
C13' C18' H18D . . 109.0 ?
C17' C18' H18D . . 109.0 ?
H18C C18' H18D . . 107.8 ?
O1' C19' O2' . . 121.1(10) ?
O1' C19' C20' . . 122.2(9) ?
O2' C19' C20' . . 116.7(9) ?
F1' C20' F2' . . 103.4(9) ?
F1' C20' C19' . . 118.2(9) ?
F2' C20' C19' . . 109.0(9) ?
F1' C20' Cl1' . . 106.6(8) ?
F2' C20' Cl1' . . 111.9(8) ?
C19' C20' Cl1' . . 107.7(6) ?
O4' C21' O3' . . 124.9(10) ?
O4' C21' C22' . . 114.5(9) ?
O3' C21' C22' . . 120.6(9) ?
F3' C22' F4' . . 99.6(8) ?
F3' C22' C21' . . 112.0(7) ?
F4' C22' C21' . . 114.9(8) ?
F3' C22' Cl2' . . 104.6(6) ?
F4' C22' Cl2' . . 108.5(6) ?
C21' C22' Cl2' . . 115.7(7) ?
P3 Ag1 P2 . . 123.91(4) y
P3 Ag1 P1 . . 120.82(4) y
P2 Ag1 P1 . . 84.65(3) y
P3 Ag1 P4 . . 85.16(4) y
P2 Ag1 P4 . . 127.78(4) y
P1 Ag1 P4 . . 119.08(4) y
C23' P1 C35 . . 96.5(3) ?
C29 P1 C35 . . 107.9(3) ?
C23' P1 C29' . . 108.0(3) ?
C35 P1 C29' . . 103.1(3) ?
C29 P1 C23 . . 98.2(3) ?
C35 P1 C23 . . 109.7(3) ?
C23' P1 Ag1 . . 125.38(19) ?
C29 P1 Ag1 . . 128.5(3) ?
C35 P1 Ag1 . . 100.5(2) ?
C29' P1 Ag1 . . 117.7(3) ?
C23 P1 Ag1 . . 111.49(16) ?
C37 P2 C36 . . 115.2(2) ?
C43' P2 C36 . . 105.7(3) ?
C43' P2 C37' . . 104.8(3) ?
C37 P2 C43 . . 102.9(3) ?
C36 P2 C43 . . 95.2(3) ?
C37' P2 C43 . . 125.8(2) ?
C37 P2 Ag1 . . 123.7(2) ?
C43' P2 Ag1 . . 125.2(2) ?
C36 P2 Ag1 . . 104.28(14) ?
C37' P2 Ag1 . . 115.35(16) ?
C43 P2 Ag1 . . 111.87(17) ?
C55' P3 C49 . . 99.2(5) ?
C55' P3 C61 . . 102.8(4) ?
C49 P3 C61 . . 105.3(4) ?
C55' P3 C49' . . 105.3(5) ?
C61 P3 C49' . . 102.1(4) ?
C49 P3 C55 . . 104.1(5) ?
C61 P3 C55 . . 110.1(4) ?
C49' P3 C55 . . 110.4(5) ?
C55' P3 Ag1 . . 125.9(4) ?
C49 P3 Ag1 . . 120.2(3) ?
C61 P3 Ag1 . . 100.77(15) ?
C49' P3 Ag1 . . 116.2(3) ?
C55 P3 Ag1 . . 115.7(4) ?
C69 P4 C63' . . 109.2(3) ?
C69 P4 C62 . . 98.3(3) ?
C63' P4 C62 . . 109.8(3) ?
C69 P4 C63 . . 103.8(3) ?
C62 P4 C63 . . 103.1(3) ?
C63' P4 C69' . . 99.9(3) ?
C62 P4 C69' . . 108.6(3) ?
C63 P4 C69' . . 95.7(3) ?
C69 P4 Ag1 . . 119.8(2) ?
C63' P4 Ag1 . . 115.0(2) ?
C62 P4 Ag1 . . 102.82(17) ?
C63 P4 Ag1 . . 124.4(3) ?
C69' P4 Ag1 . . 120.63(17) ?
C24 C23 C28 . . 120.0 ?
C24 C23 P1 . . 121.6(3) ?
C28 C23 P1 . . 118.4(3) ?
C25 C24 C23 . . 120.0 ?
C25 C24 H24 . . 120.0 ?
C23 C24 H24 . . 120.0 ?
C24 C25 C26 . . 120.0 ?
C24 C25 H25 . . 120.0 ?
C26 C25 H25 . . 120.0 ?
C27 C26 C25 . . 120.0 ?
C27 C26 H26 . . 120.0 ?
C25 C26 H26 . . 120.0 ?
C28 C27 C26 . . 120.0 ?
C28 C27 H27 . . 120.0 ?
C26 C27 H27 . . 120.0 ?
C27 C28 C23 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C23 C28 H28 . . 120.0 ?
C30 C29 C34 . . 120.0 ?
C30 C29 P1 . . 118.4(4) ?
C34 C29 P1 . . 121.2(4) ?
C29 C30 C31 . . 120.0 ?
C29 C30 H30 . . 120.0 ?
C31 C30 H30 . . 120.0 ?
C30 C31 C32 . . 120.0 ?
C30 C31 H31 . . 120.0 ?
C32 C31 H31 . . 120.0 ?
C33 C32 C31 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C31 C32 H32 . . 120.0 ?
C32 C33 C34 . . 120.0 ?
C32 C33 H33 . . 120.0 ?
C34 C33 H33 . . 120.0 ?
C33 C34 C29 . . 120.0 ?
C33 C34 H34 . . 120.0 ?
C29 C34 H34 . . 120.0 ?
C24' C23' C28' . . 120.0 ?
C24' C23' P1 . . 123.7(3) ?
C28' C23' P1 . . 116.2(3) ?
C25' C24' C23' . . 120.0 ?
C25' C24' H24' . . 120.0 ?
C23' C24' H24' . . 120.0 ?
C24' C25' C26' . . 120.0 ?
C24' C25' H25' . . 120.0 ?
C26' C25' H25' . . 120.0 ?
C25' C26' C27' . . 120.0 ?
C25' C26' H26' . . 120.0 ?
C27' C26' H26' . . 120.0 ?
C28' C27' C26' . . 120.0 ?
C28' C27' H27' . . 120.0 ?
C26' C27' H27' . . 120.0 ?
C27' C28' C23' . . 120.0 ?
C27' C28' H28' . . 120.0 ?
C23' C28' H28' . . 120.0 ?
C30' C29' C34' . . 120.0 ?
C30' C29' P1 . . 117.9(5) ?
C34' C29' P1 . . 121.7(5) ?
C29' C30' C31' . . 120.0 ?
C29' C30' H30' . . 120.0 ?
C31' C30' H30' . . 120.0 ?
C32' C31' C30' . . 120.0 ?
C32' C31' H31' . . 120.0 ?
C30' C31' H31' . . 120.0 ?
C33' C32' C31' . . 120.0 ?
C33' C32' H32' . . 120.0 ?
C31' C32' H32' . . 120.0 ?
C34' C33' C32' . . 120.0 ?
C34' C33' H33' . . 120.0 ?
C32' C33' H33' . . 120.0 ?
C33' C34' C29' . . 120.0 ?
C33' C34' H34' . . 120.0 ?
C29' C34' H34' . . 120.0 ?
C36 C35 P1 . . 110.5(4) ?
C36 C35 H35A . . 109.6 ?
P1 C35 H35A . . 109.6 ?
C36 C35 H35B . . 109.6 ?
P1 C35 H35B . . 109.6 ?
H35A C35 H35B . . 108.1 ?
C35 C36 P2 . . 113.1(4) ?
C35 C36 H36A . . 109.0 ?
P2 C36 H36A . . 109.0 ?
C35 C36 H36B . . 109.0 ?
P2 C36 H36B . . 109.0 ?
H36A C36 H36B . . 107.8 ?
C38 C37 C42 . . 120.0 ?
C38 C37 P2 . . 119.2(3) ?
C42 C37 P2 . . 120.7(3) ?
C37 C38 C39 . . 120.0 ?
C37 C38 H38 . . 120.0 ?
C39 C38 H38 . . 120.0 ?
C40 C39 C38 . . 120.0 ?
C40 C39 H39 . . 120.0 ?
C38 C39 H39 . . 120.0 ?
C41 C40 C39 . . 120.0 ?
C41 C40 H40 . . 120.0 ?
C39 C40 H40 . . 120.0 ?
C40 C41 C42 . . 120.0 ?
C40 C41 H41 . . 120.0 ?
C42 C41 H41 . . 120.0 ?
C41 C42 C37 . . 120.0 ?
C41 C42 H42 . . 120.0 ?
C37 C42 H42 . . 120.0 ?
C44 C43 C48 . . 120.0 ?
C44 C43 P2 . . 120.4(3) ?
C48 C43 P2 . . 119.5(3) ?
C43 C44 C45 . . 120.0 ?
C43 C44 H44 . . 120.0 ?
C45 C44 H44 . . 120.0 ?
C46 C45 C44 . . 120.0 ?
C46 C45 H45 . . 120.0 ?
C44 C45 H45 . . 120.0 ?
C47 C46 C45 . . 120.0 ?
C47 C46 H46 . . 120.0 ?
C45 C46 H46 . . 120.0 ?
C46 C47 C48 . . 120.0 ?
C46 C47 H47 . . 120.0 ?
C48 C47 H47 . . 120.0 ?
C47 C48 C43 . . 120.0 ?
C47 C48 H48 . . 120.0 ?
C43 C48 H48 . . 120.0 ?
C38' C37' C42' . . 120.0 ?
C38' C37' P2 . . 123.2(3) ?
C42' C37' P2 . . 116.7(3) ?
C39' C38' C37' . . 120.0 ?
C39' C38' H38' . . 120.0 ?
C37' C38' H38' . . 120.0 ?
C38' C39' C40' . . 120.0 ?
C38' C39' H39' . . 120.0 ?
C40' C39' H39' . . 120.0 ?
C39' C40' C41' . . 120.0 ?
C39' C40' H40' . . 120.0 ?
C41' C40' H40' . . 120.0 ?
C42' C41' C40' . . 120.0 ?
C42' C41' H41' . . 120.0 ?
C40' C41' H41' . . 120.0 ?
C41' C42' C37' . . 120.0 ?
C41' C42' H42' . . 120.0 ?
C37' C42' H42' . . 120.0 ?
C44' C43' C48' . . 120.0 ?
C44' C43' P2 . . 116.7(3) ?
C48' C43' P2 . . 122.6(3) ?
C45' C44' C43' . . 120.0 ?
C45' C44' H44' . . 120.0 ?
C43' C44' H44' . . 120.0 ?
C44' C45' C46' . . 120.0 ?
C44' C45' H45' . . 120.0 ?
C46' C45' H45' . . 120.0 ?
C45' C46' C47' . . 120.0 ?
C45' C46' H46' . . 120.0 ?
C47' C46' H46' . . 120.0 ?
C48' C47' C46' . . 120.0 ?
C48' C47' H47' . . 120.0 ?
C46' C47' H47' . . 120.0 ?
C47' C48' C43' . . 120.0 ?
C47' C48' H48' . . 120.0 ?
C43' C48' H48' . . 120.0 ?
C50 C49 C54 . . 120.0 ?
C50 C49 P3 . . 122.1(5) ?
C54 C49 P3 . . 117.9(5) ?
C51 C50 C49 . . 120.0 ?
C51 C50 H50 . . 120.0 ?
C49 C50 H50 . . 120.0 ?
C50 C51 C52 . . 120.0 ?
C50 C51 H51 . . 120.0 ?
C52 C51 H51 . . 120.0 ?
C53 C52 C51 . . 120.0 ?
C53 C52 H52 . . 120.0 ?
C51 C52 H52 . . 120.0 ?
C52 C53 C54 . . 120.0 ?
C52 C53 H53 . . 120.0 ?
C54 C53 H53 . . 120.0 ?
C53 C54 C49 . . 120.0 ?
C53 C54 H54 . . 120.0 ?
C49 C54 H54 . . 120.0 ?
C56 C55 C60 . . 120.0 ?
C56 C55 P3 . . 117.5(6) ?
C60 C55 P3 . . 122.5(6) ?
C55 C56 C57 . . 120.0 ?
C55 C56 H56 . . 120.0 ?
C57 C56 H56 . . 120.0 ?
C58 C57 C56 . . 120.0 ?
C58 C57 H57 . . 120.0 ?
C56 C57 H57 . . 120.0 ?
C57 C58 C59 . . 120.0 ?
C57 C58 H58 . . 120.0 ?
C59 C58 H58 . . 120.0 ?
C60 C59 C58 . . 120.0 ?
C60 C59 H59 . . 120.0 ?
C58 C59 H59 . . 120.0 ?
C59 C60 C55 . . 120.0 ?
C59 C60 H60 . . 120.0 ?
C55 C60 H60 . . 120.0 ?
C50' C49' C54' . . 120.0 ?
C50' C49' P3 . . 119.5(5) ?
C54' C49' P3 . . 120.5(5) ?
C49' C50' C51' . . 120.0 ?
C49' C50' H50' . . 120.0 ?
C51' C50' H50' . . 120.0 ?
C50' C51' C52' . . 120.0 ?
C50' C51' H51' . . 120.0 ?
C52' C51' H51' . . 120.0 ?
C51' C52' C53' . . 120.0 ?
C51' C52' H52' . . 120.0 ?
C53' C52' H52' . . 120.0 ?
C54' C53' C52' . . 120.0 ?
C54' C53' H53' . . 120.0 ?
C52' C53' H53' . . 120.0 ?
C53' C54' C49' . . 120.0 ?
C53' C54' H54' . . 120.0 ?
C49' C54' H54' . . 120.0 ?
C56' C55' C60' . . 120.0 ?
C56' C55' P3 . . 121.1(7) ?
C60' C55' P3 . . 117.0(7) ?
C57' C56' C55' . . 120.0 ?
C57' C56' H56' . . 120.0 ?
C55' C56' H56' . . 120.0 ?
C58' C57' C56' . . 120.0 ?
C58' C57' H57' . . 120.0 ?
C56' C57' H57' . . 120.0 ?
C57' C58' C59' . . 120.0 ?
C57' C58' H58' . . 120.0 ?
C59' C58' H58' . . 120.0 ?
C60' C59' C58' . . 120.0 ?
C60' C59' H59' . . 120.0 ?
C58' C59' H59' . . 120.0 ?
C59' C60' C55' . . 120.0 ?
C59' C60' H60' . . 120.0 ?
C55' C60' H60' . . 120.0 ?
C62 C61 P3 . . 110.3(3) ?
C62 C61 H61A . . 109.6 ?
P3 C61 H61A . . 109.6 ?
C62 C61 H61B . . 109.6 ?
P3 C61 H61B . . 109.6 ?
H61A C61 H61B . . 108.1 ?
C61 C62 P4 . . 113.3(4) ?
C61 C62 H62A . . 108.9 ?
P4 C62 H62A . . 108.9 ?
C61 C62 H62B . . 108.9 ?
P4 C62 H62B . . 108.9 ?
H62A C62 H62B . . 107.7 ?
C64 C63 C68 . . 120.0 ?
C64 C63 P4 . . 124.0(4) ?
C68 C63 P4 . . 116.0(4) ?
C63 C64 C65 . . 120.0 ?
C63 C64 H64 . . 120.0 ?
C65 C64 H64 . . 120.0 ?
C66 C65 C64 . . 120.0 ?
C66 C65 H65 . . 120.0 ?
C64 C65 H65 . . 120.0 ?
C65 C66 C67 . . 120.0 ?
C65 C66 H66 . . 120.0 ?
C67 C66 H66 . . 120.0 ?
C66 C67 C68 . . 120.0 ?
C66 C67 H67 . . 120.0 ?
C68 C67 H67 . . 120.0 ?
C67 C68 C63 . . 120.0 ?
C67 C68 H68 . . 120.0 ?
C63 C68 H68 . . 120.0 ?
C70 C69 C74 . . 120.0 ?
C70 C69 P4 . . 121.9(3) ?
C74 C69 P4 . . 118.1(3) ?
C71 C70 C69 . . 120.0 ?
C71 C70 H70 . . 120.0 ?
C69 C70 H70 . . 120.0 ?
C72 C71 C70 . . 120.0 ?
C72 C71 C71 . 2_675 119.9(6) ?
C70 C71 C71 . 2_675 98.5(6) ?
C72 C71 H71 . . 120.0 ?
C70 C71 H71 . . 120.0 ?
C71 C71 H71 2_675 . 49.7 ?
C71 C72 C73 . . 120.0 ?
C71 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C74 C73 C72 . . 120.0 ?
C74 C73 H73 . . 120.0 ?
C72 C73 H73 . . 120.0 ?
C73 C74 C69 . . 120.0 ?
C73 C74 H74 . . 120.0 ?
C69 C74 H74 . . 120.0 ?
C64' C63' C68' . . 120.0 ?
C64' C63' P4 . . 121.2(4) ?
C68' C63' P4 . . 118.4(4) ?
C65' C64' C63' . . 120.0 ?
C65' C64' H64' . . 120.0 ?
C63' C64' H64' . . 120.0 ?
C64' C65' C66' . . 120.0 ?
C64' C65' H65' . . 120.0 ?
C66' C65' H65' . . 120.0 ?
C65' C66' C67' . . 120.0 ?
C65' C66' H66' . . 120.0 ?
C67' C66' H66' . . 120.0 ?
C66' C67' C68' . . 120.0 ?
C66' C67' H67' . . 120.0 ?
C68' C67' H67' . . 120.0 ?
C67' C68' C63' . . 120.0 ?
C67' C68' H68' . . 120.0 ?
C63' C68' H68' . . 120.0 ?
C70' C69' C74' . . 120.0 ?
C70' C69' P4 . . 115.9(3) ?
C74' C69' P4 . . 124.1(3) ?
C69' C70' C71' . . 120.0 ?
C69' C70' H70' . . 120.0 ?
C71' C70' H70' . . 120.0 ?
C72' C71' C70' . . 120.0 ?
C72' C71' H71' . . 120.0 ?
C70' C71' H71' . . 120.0 ?
C71' C72' C73' . . 120.0 ?
C71' C72' H72' . . 120.0 ?
C73' C72' H72' . . 120.0 ?
C74' C73' C72' . . 120.0 ?
C74' C73' H73' . . 120.0 ?
C72' C73' H73' . . 120.0 ?
C73' C74' C69' . . 120.0 ?
C73' C74' H74' . . 120.0 ?
C69' C74' H74' . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 C13 2.144(10) y
Sn1 C1 2.161(4) y
Sn1 O3 2.176(9) y
Sn1 C7 2.186(8) y
Sn1 O1 2.270(6) y
Cl1 C20 1.718(8) ?
Cl2 C22 1.650(9) ?
F1 C20 1.359(8) ?
F2 C20 1.348(9) ?
F3 C22 1.326(9) ?
F4 C22 1.352(9) ?
O1 C19 1.257(7) ?
O2 C19 1.243(8) ?
O3 C21 1.235(9) ?
O4 C21 1.233(9) ?
C1 C2 1.39 ?
C1 C6 1.39 ?
C2 C3 1.39 ?
C2 H2 0.95 ?
C3 C4 1.39 ?
C3 H3 0.95 ?
C4 C5 1.39 ?
C4 H4 0.95 ?
C5 C6 1.39 ?
C5 H5 0.95 ?
C6 H6 0.95 ?
C7 C8 1.39 ?
C7 C12 1.39 ?
C8 C9 1.39 ?
C8 H8 0.95 ?
C9 C10 1.39 ?
C9 H9 0.95 ?
C10 C11 1.39 ?
C10 H10 0.95 ?
C11 C12 1.39 ?
C11 H11 0.95 ?
C12 H12 0.95 ?
C13 C18 1.519(10) ?
C13 C14 1.530(9) ?
C13 H13 1.00 ?
C14 C15 1.526(9) ?
C14 H14A 0.99 ?
C14 H14B 0.99 ?
C15 C16 1.524(9) ?
C15 H15A 0.99 ?
C15 H15B 0.99 ?
C16 C17 1.517(9) ?
C16 H16A 0.99 ?
C16 H16B 0.99 ?
C17 C18 1.528(9) ?
C17 H17A 0.99 ?
C17 H17B 0.99 ?
C18 H18A 0.99 ?
C18 H18B 0.99 ?
C19 C20 1.525(8) ?
C21 C22 1.501(9) ?
Sn1' C7' 2.109(9) ?
Sn1' C13' 2.159(11) ?
Sn1' C1' 2.155(5) ?
Sn1' O1' 2.243(9) ?
Sn1' O3' 2.298(10) ?
Cl1' C20' 1.690(9) ?
Cl2' C22' 1.705(10) ?
F1' C20' 1.324(9) ?
F2' C20' 1.357(9) ?
F3' C22' 1.375(12) ?
F4' C22' 1.355(12) ?
O1' C19' 1.214(8) ?
O2' C19' 1.251(8) ?
O3' C21' 1.249(8) ?
O4' C21' 1.244(8) ?
C1' C2' 1.39 ?
C1' C6' 1.39 ?
C2' C3' 1.39 ?
C2' H2' 0.95 ?
C3' C4' 1.39 ?
C3' H3' 0.95 ?
C4' C5' 1.39 ?
C4' H4' 0.95 ?
C5' C6' 1.39 ?
C5' H5' 0.95 ?
C6' H6' 0.95 ?
C7' C8' 1.39 ?
C7' C12' 1.39 ?
C8' C9' 1.39 ?
C8' H8' 0.95 ?
C9' C10' 1.39 ?
C9' H9' 0.95 ?
C10' C11' 1.39 ?
C10' H10' 0.95 ?
C11' C12' 1.39 ?
C11' H11' 0.95 ?
C12' H12' 0.95 ?
C13' C18' 1.509(9) ?
C13' C14' 1.529(9) ?
C13' H13' 1.00 ?
C14' C15' 1.537(9) ?
C14' H14C 0.99 ?
C14' H14D 0.99 ?
C15' C16' 1.555(9) ?
C15' H15C 0.99 ?
C15' H15D 0.99 ?
C16' C17' 1.542(9) ?
C16' H16C 0.99 ?
C16' H16D 0.99 ?
C17' C18' 1.530(9) ?
C17' H17C 0.99 ?
C17' H17D 0.99 ?
C18' H18C 0.99 ?
C18' H18D 0.99 ?
C19' C20' 1.491(9) ?
C21' C22' 1.542(8) ?
Ag1 P3 2.4682(10) y
Ag1 P2 2.4721(10) y
Ag1 P1 2.4803(11) y
Ag1 P4 2.4910(11) y
P1 C23' 1.664(4) ?
P1 C29 1.785(5) ?
P1 C35 1.844(5) ?
P1 C29' 1.882(6) ?
P1 C23 2.021(4) ?
P2 C37 1.795(4) ?
P2 C43' 1.795(4) ?
P2 C36 1.828(4) ?
P2 C37' 1.890(4) ?
P2 C43 1.898(4) ?
P3 C55' 1.759(9) ?
P3 C49 1.789(6) ?
P3 C61 1.852(5) ?
P3 C49' 1.879(7) ?
P3 C55 1.901(7) ?
P4 C69 1.727(4) ?
P4 C63' 1.801(5) ?
P4 C62 1.849(5) ?
P4 C63 1.867(5) ?
P4 C69' 1.946(4) ?
C23 C24 1.39 ?
C23 C28 1.39 ?
C24 C25 1.39 ?
C24 H24 0.95 ?
C25 C26 1.39 ?
C25 H25 0.95 ?
C26 C27 1.39 ?
C26 H26 0.95 ?
C27 C28 1.39 ?
C27 H27 0.95 ?
C28 H28 0.95 ?
C29 C30 1.39 ?
C29 C34 1.39 ?
C30 C31 1.39 ?
C30 H30 0.95 ?
C31 C32 1.39 ?
C31 H31 0.95 ?
C32 C33 1.39 ?
C32 H32 0.95 ?
C33 C34 1.39 ?
C33 H33 0.95 ?
C34 H34 0.95 ?
C23' C24' 1.39 ?
C23' C28' 1.39 ?
C24' C25' 1.39 ?
C24' H24' 0.95 ?
C25' C26' 1.39 ?
C25' H25' 0.95 ?
C26' C27' 1.39 ?
C26' H26' 0.95 ?
C27' C28' 1.39 ?
C27' H27' 0.95 ?
C28' H28' 0.95 ?
C29' C30' 1.39 ?
C29' C34' 1.39 ?
C30' C31' 1.39 ?
C30' H30' 0.95 ?
C31' C32' 1.39 ?
C31' H31' 0.95 ?
C32' C33' 1.39 ?
C32' H32' 0.95 ?
C33' C34' 1.39 ?
C33' H33' 0.95 ?
C34' H34' 0.95 ?
C35 C36 1.534(7) ?
C35 H35A 0.99 ?
C35 H35B 0.99 ?
C36 H36A 0.99 ?
C36 H36B 0.99 ?
C37 C38 1.39 ?
C37 C42 1.39 ?
C38 C39 1.39 ?
C38 H38 0.95 ?
C39 C40 1.39 ?
C39 H39 0.95 ?
C40 C41 1.39 ?
C40 H40 0.95 ?
C41 C42 1.39 ?
C41 H41 0.95 ?
C42 H42 0.95 ?
C43 C44 1.39 ?
C43 C48 1.39 ?
C44 C45 1.39 ?
C44 H44 0.95 ?
C45 C46 1.39 ?
C45 H45 0.95 ?
C46 C47 1.39 ?
C46 H46 0.95 ?
C47 C48 1.39 ?
C47 H47 0.95 ?
C48 H48 0.95 ?
C37' C38' 1.39 ?
C37' C42' 1.39 ?
C38' C39' 1.39 ?
C38' H38' 0.95 ?
C39' C40' 1.39 ?
C39' H39' 0.95 ?
C40' C41' 1.39 ?
C40' H40' 0.95 ?
C41' C42' 1.39 ?
C41' H41' 0.95 ?
C42' H42' 0.95 ?
C43' C44' 1.39 ?
C43' C48' 1.39 ?
C44' C45' 1.39 ?
C44' H44' 0.95 ?
C45' C46' 1.39 ?
C45' H45' 0.95 ?
C46' C47' 1.39 ?
C46' H46' 0.95 ?
C47' C48' 1.39 ?
C47' H47' 0.95 ?
C48' H48' 0.95 ?
C49 C50 1.39 ?
C49 C54 1.39 ?
C50 C51 1.39 ?
C50 H50 0.95 ?
C51 C52 1.39 ?
C51 H51 0.95 ?
C52 C53 1.39 ?
C52 H52 0.95 ?
C53 C54 1.39 ?
C53 H53 0.95 ?
C54 H54 0.95 ?
C55 C56 1.39 ?
C55 C60 1.39 ?
C56 C57 1.39 ?
C56 H56 0.95 ?
C57 C58 1.39 ?
C57 H57 0.95 ?
C58 C59 1.39 ?
C58 H58 0.95 ?
C59 C60 1.39 ?
C59 H59 0.95 ?
C60 H60 0.95 ?
C49' C50' 1.39 ?
C49' C54' 1.39 ?
C50' C51' 1.39 ?
C50' H50' 0.95 ?
C51' C52' 1.39 ?
C51' H51' 0.95 ?
C52' C53' 1.39 ?
C52' H52' 0.95 ?
C53' C54' 1.39 ?
C53' H53' 0.95 ?
C54' H54' 0.95 ?
C55' C56' 1.39 ?
C55' C60' 1.39 ?
C56' C57' 1.39 ?
C56' H56' 0.95 ?
C57' C58' 1.39 ?
C57' H57' 0.95 ?
C58' C59' 1.39 ?
C58' H58' 0.95 ?
C59' C60' 1.39 ?
C59' H59' 0.95 ?
C60' H60' 0.95 ?
C61 C62 1.517(9) ?
C61 H61A 0.99 ?
C61 H61B 0.99 ?
C62 H62A 0.99 ?
C62 H62B 0.99 ?
C63 C64 1.39 ?
C63 C68 1.39 ?
C64 C65 1.39 ?
C64 H64 0.95 ?
C65 C66 1.39 ?
C65 H65 0.95 ?
C66 C67 1.39 ?
C66 H66 0.95 ?
C67 C68 1.39 ?
C67 H67 0.95 ?
C68 H68 0.95 ?
C69 C70 1.39 ?
C69 C74 1.39 ?
C70 C71 1.39 ?
C70 H70 0.95 ?
C71 C72 1.39 ?
C71 H71 0.95 ?
C72 C73 1.39 ?
C72 H72 0.95 ?
C73 C74 1.39 ?
C73 H73 0.95 ?
C74 H74 0.95 ?
C63' C64' 1.39 ?
C63' C68' 1.39 ?
C64' C65' 1.39 ?
C64' H64' 0.95 ?
C65' C66' 1.39 ?
C65' H65' 0.95 ?
C66' C67' 1.39 ?
C66' H66' 0.95 ?
C67' C68' 1.39 ?
C67' H67' 0.95 ?
C68' H68' 0.95 ?
C69' C70' 1.39 ?
C69' C74' 1.39 ?
C70' C71' 1.39 ?
C70' H70' 0.95 ?
C71' C72' 1.39 ?
C71' H71' 0.95 ?
C72' C73' 1.39 ?
C72' H72' 0.95 ?
C73' C74' 1.39 ?
C73' H73' 0.95 ?
C74' H74' 0.95 ?
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_4
_geom_torsion
C13 Sn1 O1 C19 . . 171.4(8)
C1 Sn1 O1 C19 . . -69.6(7)
C7 Sn1 O1 C19 . . 58.4(9)
C13 Sn1 O3 C21 . . -45.1(12)
C1 Sn1 O3 C21 . . -163.2(12)
C7 Sn1 O3 C21 . . 67.9(12)
C13 Sn1 C1 C2 . . -53.1(7)
O3 Sn1 C1 C2 . . 43.7(6)
C7 Sn1 C1 C2 . . 124.5(7)
O1 Sn1 C1 C2 . . -142.9(3)
C13 Sn1 C1 C6 . . 125.5(7)
O3 Sn1 C1 C6 . . -137.7(6)
C7 Sn1 C1 C6 . . -56.9(7)
O1 Sn1 C1 C6 . . 35.7(4)
C6 C1 C2 C3 . . 0.0
Sn1 C1 C2 C3 . . 178.6(4)
C1 C2 C3 C4 . . 0.0
C2 C3 C4 C5 . . 0.0
C3 C4 C5 C6 . . 0.0
C4 C5 C6 C1 . . 0.0
C2 C1 C6 C5 . . 0.0
Sn1 C1 C6 C5 . . -178.5(4)
C13 Sn1 C7 C8 . . 121.7(10)
C1 Sn1 C7 C8 . . -56.0(11)
O3 Sn1 C7 C8 . . 21.1(9)
O1 Sn1 C7 C8 . . -151.4(9)
C13 Sn1 C7 C12 . . -55.5(14)
C1 Sn1 C7 C12 . . 126.8(9)
O3 Sn1 C7 C12 . . -156.0(12)
O1 Sn1 C7 C12 . . 31.5(11)
C12 C7 C8 C9 . . 0.0
Sn1 C7 C8 C9 . . -177.1(15)
C7 C8 C9 C10 . . 0.0
C8 C9 C10 C11 . . 0.0
C9 C10 C11 C12 . . 0.0
C10 C11 C12 C7 . . 0.0
C8 C7 C12 C11 . . 0.0
Sn1 C7 C12 C11 . . 177.2(14)
C1 Sn1 C13 C18 . . -28.8(14)
O3 Sn1 C13 C18 . . -114.0(12)
C7 Sn1 C13 C18 . . 153.3(11)
O1 Sn1 C13 C18 . . 65.3(11)
C1 Sn1 C13 C14 . . -151.1(9)
O3 Sn1 C13 C14 . . 123.7(12)
C7 Sn1 C13 C14 . . 31.0(14)
O1 Sn1 C13 C14 . . -57.0(12)
C18 C13 C14 C15 . . 56.6(18)
Sn1 C13 C14 C15 . . 176.7(12)
C13 C14 C15 C16 . . -43(2)
C14 C15 C16 C17 . . 39(2)
C15 C16 C17 C18 . . -45(2)
C14 C13 C18 C17 . . -63.0(16)
Sn1 C13 C18 C17 . . 174.0(11)
C16 C17 C18 C13 . . 56.2(17)
Sn1 O1 C19 O2 . . 29.6(7)
Sn1 O1 C19 C20 . . -150.9(6)
O2 C19 C20 F2 . . -177.3(8)
O1 C19 C20 F2 . . 3.1(8)
O2 C19 C20 F1 . . 71.2(9)
O1 C19 C20 F1 . . -108.5(9)
O2 C19 C20 Cl1 . . -57.4(6)
O1 C19 C20 Cl1 . . 122.9(6)
Sn1 O3 C21 O4 . . -1.4(12)
Sn1 O3 C21 C22 . . 178.7(12)
O4 C21 C22 F3 . . -86.9(11)
O3 C21 C22 F3 . . 93.0(11)
O4 C21 C22 F4 . . 149.5(10)
O3 C21 C22 F4 . . -30.6(10)
O4 C21 C22 Cl2 . . 37.9(10)
O3 C21 C22 Cl2 . . -142.1(9)
C7' Sn1' O1' C19' . . 149.1(19)
C13' Sn1' O1' C19' . . -83.5(18)
C1' Sn1' O1' C19' . . 34.0(17)
C7' Sn1' O3' C21' . . 64.3(13)
C13' Sn1' O3' C21' . . -62.8(12)
C1' Sn1' O3' C21' . . 179.7(11)
C7' Sn1' C1' C2' . . 134.7(6)
C13' Sn1' C1' C2' . . -48.4(8)
O1' Sn1' C1' C2' . . -138.1(4)
O3' Sn1' C1' C2' . . 42.0(6)
C7' Sn1' C1' C6' . . -47.8(7)
C13' Sn1' C1' C6' . . 129.2(7)
O1' Sn1' C1' C6' . . 39.4(5)
O3' Sn1' C1' C6' . . -140.5(6)
C6' C1' C2' C3' . . 0.0
Sn1' C1' C2' C3' . . 177.5(4)
C1' C2' C3' C4' . . 0.0
C2' C3' C4' C5' . . 0.0
C3' C4' C5' C6' . . 0.0
C4' C5' C6' C1' . . 0.0
C2' C1' C6' C5' . . 0.0
Sn1' C1' C6' C5' . . -177.5(4)
C13' Sn1' C7' C8' . . 118.4(11)
C1' Sn1' C7' C8' . . -65.0(10)
O1' Sn1' C7' C8' . . -156.6(9)
O3' Sn1' C7' C8' . . 28.0(9)
C13' Sn1' C7' C12' . . -59.5(17)
C1' Sn1' C7' C12' . . 117.1(11)
O1' Sn1' C7' C12' . . 25.5(13)
O3' Sn1' C7' C12' . . -150.0(13)
C12' C7' C8' C9' . . 0.0
Sn1' C7' C8' C9' . . -177.9(17)
C7' C8' C9' C10' . . 0.0
C8' C9' C10' C11' . . 0.0
C9' C10' C11' C12' . . 0.0
C10' C11' C12' C7' . . 0.0
C8' C7' C12' C11' . . 0.0
Sn1' C7' C12' C11' . . 177.9(17)
C7' Sn1' C13' C18' . . 143.3(12)
C1' Sn1' C13' C18' . . -33.2(16)
O1' Sn1' C13' C18' . . 59.5(13)
O3' Sn1' C13' C18' . . -125.1(14)
C7' Sn1' C13' C14' . . 16.1(16)
C1' Sn1' C13' C14' . . -160.5(9)
O1' Sn1' C13' C14' . . -67.8(11)
O3' Sn1' C13' C14' . . 107.7(12)
C18' C13' C14' C15' . . 49.0(19)
Sn1' C13' C14' C15' . . 179.0(11)
C13' C14' C15' C16' . . -58.9(16)
C14' C15' C16' C17' . . 67.0(14)
C15' C16' C17' C18' . . -66.0(13)
C14' C13' C18' C17' . . -49.1(19)
Sn1' C13' C18' C17' . . -173.5(11)
C16' C17' C18' C13' . . 58.6(16)
Sn1' O1' C19' O2' . . -6.5(17)
Sn1' O1' C19' C20' . . 173.1(16)
O1' C19' C20' F1' . . 43.3(10)
O2' C19' C20' F1' . . -137.1(10)
O1' C19' C20' F2' . . 160.8(9)
O2' C19' C20' F2' . . -19.6(9)
O1' C19' C20' Cl1' . . -77.6(8)
O2' C19' C20' Cl1' . . 102.0(8)
Sn1' O3' C21' O4' . . 22.4(11)
Sn1' O3' C21' C22' . . -157.5(11)
O4' C21' C22' F3' . . -112.1(9)
O3' C21' C22' F3' . . 67.8(10)
O4' C21' C22' F4' . . 0.5(10)
O3' C21' C22' F4' . . -179.6(10)
O4' C21' C22' Cl2' . . 128.2(8)
O3' C21' C22' Cl2' . . -51.9(8)
P3 Ag1 P1 C23' . . 45.1(2)
P2 Ag1 P1 C23' . . -81.6(2)
P4 Ag1 P1 C23' . . 147.7(2)
P3 Ag1 P1 C29 . . -85.9(3)
P2 Ag1 P1 C29 . . 147.5(3)
P4 Ag1 P1 C29 . . 16.8(3)
P3 Ag1 P1 C35 . . 150.9(3)
P2 Ag1 P1 C35 . . 24.3(3)
P4 Ag1 P1 C35 . . -106.4(3)
P3 Ag1 P1 C29' . . -98.1(3)
P2 Ag1 P1 C29' . . 135.3(3)
P4 Ag1 P1 C29' . . 4.6(3)
P3 Ag1 P1 C23 . . 34.70(19)
P2 Ag1 P1 C23 . . -91.93(19)
P4 Ag1 P1 C23 . . 137.38(18)
P3 Ag1 P2 C37 . . 101.7(2)
P1 Ag1 P2 C37 . . -134.5(2)
P4 Ag1 P2 C37 . . -11.4(2)
P3 Ag1 P2 C43' . . -2.5(2)
P1 Ag1 P2 C43' . . 121.3(2)
P4 Ag1 P2 C43' . . -115.6(2)
P3 Ag1 P2 C36 . . -124.0(2)
P1 Ag1 P2 C36 . . -0.1(2)
P4 Ag1 P2 C36 . . 122.9(2)
P3 Ag1 P2 C37' . . 130.27(19)
P1 Ag1 P2 C37' . . -105.87(19)
P4 Ag1 P2 C37' . . 17.17(19)
P3 Ag1 P2 C43 . . -22.2(2)
P1 Ag1 P2 C43 . . 101.6(2)
P4 Ag1 P2 C43 . . -135.3(2)
P2 Ag1 P3 C55' . . 89.3(5)
P1 Ag1 P3 C55' . . -16.4(5)
P4 Ag1 P3 C55' . . -137.6(5)
P2 Ag1 P3 C49 . . -41.2(4)
P1 Ag1 P3 C49 . . -146.9(4)
P4 Ag1 P3 C49 . . 91.9(4)
P2 Ag1 P3 C61 . . -156.1(2)
P1 Ag1 P3 C61 . . 98.2(2)
P4 Ag1 P3 C61 . . -23.0(2)
P2 Ag1 P3 C49' . . -46.8(4)
P1 Ag1 P3 C49' . . -152.5(4)
P4 Ag1 P3 C49' . . 86.4(4)
P2 Ag1 P3 C55 . . 85.2(4)
P1 Ag1 P3 C55 . . -20.5(4)
P4 Ag1 P3 C55 . . -141.7(4)
P3 Ag1 P4 C69 . . -109.0(2)
P2 Ag1 P4 C69 . . 21.0(2)
P1 Ag1 P4 C69 . . 128.2(2)
P3 Ag1 P4 C63' . . 117.8(3)
P2 Ag1 P4 C63' . . -112.2(3)
P1 Ag1 P4 C63' . . -5.0(3)
P3 Ag1 P4 C62 . . -1.4(2)
P2 Ag1 P4 C62 . . 128.6(2)
P1 Ag1 P4 C62 . . -124.2(2)
P3 Ag1 P4 C63 . . 114.5(3)
P2 Ag1 P4 C63 . . -115.5(3)
P1 Ag1 P4 C63 . . -8.3(3)
P3 Ag1 P4 C69' . . -122.4(3)
P2 Ag1 P4 C69' . . 7.6(3)
P1 Ag1 P4 C69' . . 114.8(3)
C23' P1 C23 C24 . . 52.7(9)
C29 P1 C23 C24 . . -21.0(4)
C35 P1 C23 C24 . . 91.4(4)
C29' P1 C23 C24 . . -23.0(4)
Ag1 P1 C23 C24 . . -158.1(3)
C23' P1 C23 C28 . . -127.5(10)
C29 P1 C23 C28 . . 158.7(4)
C35 P1 C23 C28 . . -88.8(3)
C29' P1 C23 C28 . . 156.7(4)
Ag1 P1 C23 C28 . . 21.6(3)
C28 C23 C24 C25 . . 0.0
P1 C23 C24 C25 . . 179.7(4)
C23 C24 C25 C26 . . 0.0
C24 C25 C26 C27 . . 0.0
C25 C26 C27 C28 . . 0.0
C26 C27 C28 C23 . . 0.0
C24 C23 C28 C27 . . 0.0
P1 C23 C28 C27 . . -179.7(4)
C23' P1 C29 C30 . . -99.8(5)
C35 P1 C29 C30 . . 162.3(5)
C29' P1 C29 C30 . . 88.9(17)
C23 P1 C29 C30 . . -83.8(5)
Ag1 P1 C29 C30 . . 42.1(6)
C23' P1 C29 C34 . . 87.7(5)
C35 P1 C29 C34 . . -10.3(6)
C29' P1 C29 C34 . . -83.6(17)
C23 P1 C29 C34 . . 103.6(5)
Ag1 P1 C29 C34 . . -130.4(4)
C34 C29 C30 C31 . . 0.0
P1 C29 C30 C31 . . -172.6(6)
C29 C30 C31 C32 . . 0.0
C30 C31 C32 C33 . . 0.0
C31 C32 C33 C34 . . 0.0
C32 C33 C34 C29 . . 0.0
C30 C29 C34 C33 . . 0.0
P1 C29 C34 C33 . . 172.4(6)
C29 P1 C23' C24' . . -66.6(4)
C35 P1 C23' C24' . . 41.8(4)
C29' P1 C23' C24' . . -64.3(4)
C23 P1 C23' C24' . . -174.5(11)
Ag1 P1 C23' C24' . . 149.7(3)
C29 P1 C23' C28' . . 110.3(4)
C35 P1 C23' C28' . . -141.3(3)
C29' P1 C23' C28' . . 112.6(4)
C23 P1 C23' C28' . . 2.4(8)
Ag1 P1 C23' C28' . . -33.4(4)
C28' C23' C24' C25' . . 0.0
P1 C23' C24' C25' . . 176.8(4)
C23' C24' C25' C26' . . 0.0
C24' C25' C26' C27' . . 0.0
C25' C26' C27' C28' . . 0.0
C26' C27' C28' C23' . . 0.0
C24' C23' C28' C27' . . 0.0
P1 C23' C28' C27' . . -177.0(4)
C23' P1 C29' C30' . . -103.2(5)
C29 P1 C29' C30' . . -94.1(17)
C35 P1 C29' C30' . . 155.4(5)
C23 P1 C29' C30' . . -86.3(5)
Ag1 P1 C29' C30' . . 45.8(5)
C23' P1 C29' C34' . . 70.0(5)
C29 P1 C29' C34' . . 79.2(17)
C35 P1 C29' C34' . . -31.4(6)
C23 P1 C29' C34' . . 87.0(5)
Ag1 P1 C29' C34' . . -140.9(4)
C34' C29' C30' C31' . . 0.0
P1 C29' C30' C31' . . 173.4(6)
C29' C30' C31' C32' . . 0.0
C30' C31' C32' C33' . . 0.0
C31' C32' C33' C34' . . 0.0
C32' C33' C34' C29' . . 0.0
C30' C29' C34' C33' . . 0.0
P1 C29' C34' C33' . . -173.1(6)
C23' P1 C35 C36 . . 76.3(5)
C29 P1 C35 C36 . . 171.9(5)
C29' P1 C35 C36 . . -173.5(5)
C23 P1 C35 C36 . . 66.0(5)
Ag1 P1 C35 C36 . . -51.6(5)
P1 C35 C36 P2 . . 57.9(6)
C37 P2 C36 C35 . . 107.2(5)
C43' P2 C36 C35 . . -165.3(5)
C37' P2 C36 C35 . . 87.0(5)
C43 P2 C36 C35 . . -145.8(5)
Ag1 P2 C36 C35 . . -31.6(5)
C43' P2 C37 C38 . . -134.7(4)
C36 P2 C37 C38 . . -31.4(4)
C37' P2 C37 C38 . . 19.6(5)
C43 P2 C37 C38 . . -133.6(4)
Ag1 P2 C37 C38 . . 98.6(3)
C43' P2 C37 C42 . . 48.9(4)
C36 P2 C37 C42 . . 152.2(4)
C37' P2 C37 C42 . . -156.8(7)
C43 P2 C37 C42 . . 50.0(4)
Ag1 P2 C37 C42 . . -77.8(4)
C42 C37 C38 C39 . . 0.0
P2 C37 C38 C39 . . -176.4(4)
C37 C38 C39 C40 . . 0.0
C38 C39 C40 C41 . . 0.0
C39 C40 C41 C42 . . 0.0
C40 C41 C42 C37 . . 0.0
C38 C37 C42 C41 . . 0.0
P2 C37 C42 C41 . . 176.3(5)
C37 P2 C43 C44 . . -145.5(3)
C43' P2 C43 C44 . . -142.7(9)
C36 P2 C43 C44 . . 97.1(3)
C37' P2 C43 C44 . . -159.7(3)
Ag1 P2 C43 C44 . . -10.6(4)
C37 P2 C43 C48 . . 38.0(4)
C43' P2 C43 C48 . . 40.8(7)
C36 P2 C43 C48 . . -79.4(3)
C37' P2 C43 C48 . . 23.8(4)
Ag1 P2 C43 C48 . . 172.9(3)
C48 C43 C44 C45 . . 0.0
P2 C43 C44 C45 . . -176.5(4)
C43 C44 C45 C46 . . 0.0
C44 C45 C46 C47 . . 0.0
C45 C46 C47 C48 . . 0.0
C46 C47 C48 C43 . . 0.0
C44 C43 C48 C47 . . 0.0
P2 C43 C48 C47 . . 176.5(4)
C37 P2 C37' C38' . . -88.9(6)
C43' P2 C37' C38' . . -62.6(4)
C36 P2 C37' C38' . . 45.9(3)
C43 P2 C37' C38' . . -56.2(4)
Ag1 P2 C37' C38' . . 155.7(3)
C37 P2 C37' C42' . . 86.8(6)
C43' P2 C37' C42' . . 113.1(3)
C36 P2 C37' C42' . . -138.4(3)
C43 P2 C37' C42' . . 119.6(3)
Ag1 P2 C37' C42' . . -28.6(3)
C42' C37' C38' C39' . . 0.0
P2 C37' C38' C39' . . 175.6(4)
C37' C38' C39' C40' . . 0.0
C38' C39' C40' C41' . . 0.0
C39' C40' C41' C42' . . 0.0
C40' C41' C42' C37' . . 0.0
C38' C37' C42' C41' . . 0.0
P2 C37' C42' C41' . . -175.9(4)
C37 P2 C43' C44' . . -178.5(4)
C36 P2 C43' C44' . . 67.6(4)
C37' P2 C43' C44' . . 170.1(3)
C43 P2 C43' C44' . . 4.3(6)
Ag1 P2 C43' C44' . . -53.2(4)
C37 P2 C43' C48' . . -8.0(4)
C36 P2 C43' C48' . . -121.8(4)
C37' P2 C43' C48' . . -19.4(4)
C43 P2 C43' C48' . . 174.8(9)
Ag1 P2 C43' C48' . . 117.3(3)
C48' C43' C44' C45' . . 0.0
P2 C43' C44' C45' . . 170.8(4)
C43' C44' C45' C46' . . 0.0
C44' C45' C46' C47' . . 0.0
C45' C46' C47' C48' . . 0.0
C46' C47' C48' C43' . . 0.0
C44' C43' C48' C47' . . 0.0
P2 C43' C48' C47' . . -170.2(4)
C55' P3 C49 C50 . . 74.7(7)
C61 P3 C49 C50 . . -31.4(6)
C49' P3 C49 C50 . . -92(5)
C55 P3 C49 C50 . . 84.5(6)
Ag1 P3 C49 C50 . . -143.9(4)
C55' P3 C49 C54 . . -104.3(7)
C61 P3 C49 C54 . . 149.6(5)
C49' P3 C49 C54 . . 89(5)
C55 P3 C49 C54 . . -94.5(7)
Ag1 P3 C49 C54 . . 37.1(7)
C54 C49 C50 C51 . . 0.0
P3 C49 C50 C51 . . -179.0(8)
C49 C50 C51 C52 . . 0.0
C50 C51 C52 C53 . . 0.0
C51 C52 C53 C54 . . 0.0
C52 C53 C54 C49 . . 0.0
C50 C49 C54 C53 . . 0.0
P3 C49 C54 C53 . . 179.0(8)
C55' P3 C55 C56 . . 91(4)
C49 P3 C55 C56 . . 27.5(6)
C61 P3 C55 C56 . . 139.9(5)
C49' P3 C55 C56 . . 27.9(6)
Ag1 P3 C55 C56 . . -106.7(5)
C55' P3 C55 C60 . . -89(4)
C49 P3 C55 C60 . . -153.1(7)
C61 P3 C55 C60 . . -40.7(8)
C49' P3 C55 C60 . . -152.7(7)
Ag1 P3 C55 C60 . . 72.7(8)
C60 C55 C56 C57 . . 0.0
P3 C55 C56 C57 . . 179.4(7)
C55 C56 C57 C58 . . 0.0
C56 C57 C58 C59 . . 0.0
C57 C58 C59 C60 . . 0.0
C58 C59 C60 C55 . . 0.0
C56 C55 C60 C59 . . 0.0
P3 C55 C60 C59 . . -179.3(8)
C55' P3 C49' C50' . . 41.6(6)
C49 P3 C49' C50' . . 55(5)
C61 P3 C49' C50' . . -65.4(5)
C55 P3 C49' C50' . . 51.6(6)
Ag1 P3 C49' C50' . . -174.0(4)
C55' P3 C49' C54' . . -138.7(7)
C49 P3 C49' C54' . . -125(5)
C61 P3 C49' C54' . . 114.2(6)
C55 P3 C49' C54' . . -128.7(7)
Ag1 P3 C49' C54' . . 5.6(8)
C54' C49' C50' C51' . . 0.0
P3 C49' C50' C51' . . 179.6(8)
C49' C50' C51' C52' . . 0.0
C50' C51' C52' C53' . . 0.0
C51' C52' C53' C54' . . 0.0
C52' C53' C54' C49' . . 0.0
C50' C49' C54' C53' . . 0.0
P3 C49' C54' C53' . . -179.6(8)
C49 P3 C55' C56' . . 42.8(6)
C61 P3 C55' C56' . . 150.9(5)
C49' P3 C55' C56' . . 44.3(6)
C55 P3 C55' C56' . . -75(4)
Ag1 P3 C55' C56' . . -95.5(6)
C49 P3 C55' C60' . . -153.0(6)
C61 P3 C55' C60' . . -44.9(7)
C49' P3 C55' C60' . . -151.5(6)
C55 P3 C55' C60' . . 89(4)
Ag1 P3 C55' C60' . . 68.7(8)
C60' C55' C56' C57' . . 0.0
P3 C55' C56' C57' . . 163.7(8)
C55' C56' C57' C58' . . 0.0
C56' C57' C58' C59' . . 0.0
C57' C58' C59' C60' . . 0.0
C58' C59' C60' C55' . . 0.0
C56' C55' C60' C59' . . 0.0
P3 C55' C60' C59' . . -164.4(7)
C55' P3 C61 C62 . . -177.6(5)
C49 P3 C61 C62 . . -74.3(5)
C49' P3 C61 C62 . . -68.7(5)
C55 P3 C61 C62 . . 174.0(5)
Ag1 P3 C61 C62 . . 51.4(4)
P3 C61 C62 P4 . . -59.4(4)
C69 P4 C62 C61 . . 157.2(4)
C63' P4 C62 C61 . . -88.9(4)
C63 P4 C62 C61 . . -96.4(4)
C69' P4 C62 C61 . . 162.8(4)
Ag1 P4 C62 C61 . . 33.9(4)
C69 P4 C63 C64 . . 100.3(5)
C63' P4 C63 C64 . . -135(3)
C62 P4 C63 C64 . . -1.9(6)
C69' P4 C63 C64 . . 108.8(5)
Ag1 P4 C63 C64 . . -117.7(5)
C69 P4 C63 C68 . . -81.6(5)
C63' P4 C63 C68 . . 43(2)
C62 P4 C63 C68 . . 176.2(4)
C69' P4 C63 C68 . . -73.2(5)
Ag1 P4 C63 C68 . . 60.4(5)
C68 C63 C64 C65 . . 0.0
P4 C63 C64 C65 . . 178.0(7)
C63 C64 C65 C66 . . 0.0
C64 C65 C66 C67 . . 0.0
C65 C66 C67 C68 . . 0.0
C66 C67 C68 C63 . . 0.0
C64 C63 C68 C67 . . 0.0
P4 C63 C68 C67 . . -178.1(6)
C63' P4 C69 C70 . . -161.5(4)
C62 P4 C69 C70 . . -47.1(4)
C63 P4 C69 C70 . . -152.9(4)
C69' P4 C69 C70 . . 160.3(16)
Ag1 P4 C69 C70 . . 63.0(4)
C63' P4 C69 C74 . . 21.6(4)
C62 P4 C69 C74 . . 135.9(3)
C63 P4 C69 C74 . . 30.1(4)
C69' P4 C69 C74 . . -16.7(13)
Ag1 P4 C69 C74 . . -114.0(3)
C74 C69 C70 C71 . . 0.0
P4 C69 C70 C71 . . -176.9(5)
C69 C70 C71 C72 . . 0.0
C69 C70 C71 C71 . 2_675 -132.0(6)
C70 C71 C72 C73 . . 0.0
C71 C71 C72 C73 2_675 . 122.0(7)
C71 C72 C73 C74 . . 0.0
C72 C73 C74 C69 . . 0.0
C70 C69 C74 C73 . . 0.0
P4 C69 C74 C73 . . 177.1(5)
C69 P4 C63' C64' . . 72.0(5)
C62 P4 C63' C64' . . -34.7(5)
C63 P4 C63' C64' . . 14(2)
C69' P4 C63' C64' . . 79.3(4)
Ag1 P4 C63' C64' . . -150.0(3)
C69 P4 C63' C68' . . -101.1(5)
C62 P4 C63' C68' . . 152.2(4)
C63 P4 C63' C68' . . -159(3)
C69' P4 C63' C68' . . -93.8(4)
Ag1 P4 C63' C68' . . 36.9(5)
C68' C63' C64' C65' . . 0.0
P4 C63' C64' C65' . . -173.0(6)
C63' C64' C65' C66' . . 0.0
C64' C65' C66' C67' . . 0.0
C65' C66' C67' C68' . . 0.0
C66' C67' C68' C63' . . 0.0
C64' C63' C68' C67' . . 0.0
P4 C63' C68' C67' . . 173.2(6)
C69 P4 C69' C70' . . -82.0(14)
C63' P4 C69' C70' . . 134.4(4)
C62 P4 C69' C70' . . -110.7(3)
C63 P4 C69' C70' . . 143.4(4)
Ag1 P4 C69' C70' . . 7.4(4)
C69 P4 C69' C74' . . 97.9(15)
C63' P4 C69' C74' . . -45.7(5)
C62 P4 C69' C74' . . 69.2(4)
C63 P4 C69' C74' . . -36.7(5)
Ag1 P4 C69' C74' . . -172.7(3)
C74' C69' C70' C71' . . 0.0
P4 C69' C70' C71' . . 179.9(5)
C69' C70' C71' C72' . . 0.0
C70' C71' C72' C73' . . 0.0
C71' C72' C73' C74' . . 0.0
C72' C73' C74' C69' . . 0.0
C70' C69' C74' C73' . . 0.0
P4 C69' C74' C73' . . -179.9(5)
