#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/12/4311257.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_4311257
loop_
_publ_author_name
'Augusto Cingolani'
'E. Effendy'
'Fabio Marchetti'
'Claudio Pettinari'
'Riccardo Pettinari'
'Brian W. Skelton'
'Allan H. White'
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Highway
   Crawley
   Western Australia 6009
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
 Silver Coordination Chemistry of a New Versatile "Janus"-type
 N2,O2-Bichelating Donor, Formation of an Unprecedented Supramolecular
 Network of Binuclear Silver Building Blocks Containing a Five-Coordinate
 β-Diketonate, and Isolation of Unexpected Silver-Tin-Silver
 Heterotrimetallic Complexes from Silver Metathesis Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4387
_journal_page_last               4399
_journal_paper_doi               10.1021/ic0497376
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C76 H69 Ag2 Cl5 P4 Sn1'
_chemical_formula_sum            'C76 H69 Ag2 Cl5 P4 Sn'
_chemical_formula_weight         1618.01
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             03-12-04
_audit_creation_method           Xtal3.6
_cell_angle_alpha                67.144(2)
_cell_angle_beta                 81.879(2)
_cell_angle_gamma                74.320(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2625(8)
_cell_length_b                   12.9580(10)
_cell_length_c                   14.4820(10)
_cell_measurement_reflns_used    6591
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      37.35
_cell_measurement_theta_min      2.37
_cell_volume                     1707.2(2)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max .97
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .024
_diffrn_reflns_av_sigmaI/netI    .071
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33994
_diffrn_reflns_theta_full        37.0
_diffrn_reflns_theta_max         37.55
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.264
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .83
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             814
_exptl_crystal_size_max          .39
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .17
_refine_diff_density_max         1.87
_refine_diff_density_min         -.884
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.014
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     530
_refine_ls_number_reflns         13099
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .057
_refine_ls_R_factor_gt           .037
_refine_ls_shift/su_max          .014
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .051
_refine_ls_wR_factor_ref         .047
_reflns_d_resolution_high        .583
_reflns_d_resolution_low         13.298
_reflns_Friedel_coverage         0
_reflns_limit_h_max              17
_reflns_limit_h_min              0
_reflns_limit_k_max              22
_reflns_limit_k_min              -21
_reflns_limit_l_max              24
_reflns_limit_l_min              -24
_reflns_number_gt                13099
_reflns_number_total             17429
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            ic0497376si20040415_034835.cif
_cod_data_source_block           agqpsn
_cod_original_sg_symbol_Hall     -p_1
_cod_original_formula_sum        'C76 H69 Ag2 Cl5 P4 Sn1'
_cod_database_code               4311257
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn .50000 .50000 .50000 .01666(12) Uani ? ? 1.00000 ? ?
Ag .356503(13) .279201(11) .736501(10) .01757(10) Uani ? ? 1.00000 ? ?
Cl1 .29584(5) .41574(5) .53628(4) .0287(4) Uani ? ? 1.00000 ? ?
Cl2 .58557(4) .34566(4) .66958(3) .0207(3) Uani ? ? 1.00000 ? ?
Cl3 .61248(10) .36937(8) .42146(7) .0256(7) Uani ? ? .50000 ? ?
C1 .5890(4) .3779(3) .4256(3) .022(3) Uani ? ? .50000 ? ?
C2 .7420(4) .3530(4) .4136(3) .028(3) Uani ? ? .50000 ? ?
C3 .8013(6) .2509(4) .3816(4) .043(4) Uani ? ? .50000 ? ?
C4 .9544(6) .2288(5) .3675(5) .057(5) Uani ? ? .50000 ? ?
P1 .22169(5) .38250(5) .84323(4) .0214(4) Uani ? ? 1.00000 ? ?
C111 .26608(18) .50629(17) .84975(15) .0220(14) Uani ? ? 1.00000 ? ?
C112 .40179(19) .50064(17) .85524(15) .0222(14) Uani ? ? 1.00000 ? ?
C113 .4386(2) .58541(18) .87563(16) .0263(16) Uani ? ? 1.00000 ? ?
C114 .3401(2) .67696(19) .88822(17) .0299(18) Uani ? ? 1.00000 ? ?
C115 .2060(2) .6851(2) .8785(2) .045(3) Uani ? ? 1.00000 ? ?
C116 .1679(2) .6001(2) .8597(2) .041(2) Uani ? ? 1.00000 ? ?
C121 .20946(18) .29289(18) .97586(15) .0231(15) Uani ? ? 1.00000 ? ?
C122 .2196(2) .33028(19) 1.05238(16) .0267(16) Uani ? ? 1.00000 ? ?
C123 .2119(2) .2576(2) 1.15251(16) .0306(18) Uani ? ? 1.00000 ? ?
C124 .1927(2) .1481(2) 1.17696(18) .0324(18) Uani ? ? 1.00000 ? ?
C125 .1813(2) .1108(2) 1.1014(2) .035(2) Uani ? ? 1.00000 ? ?
C126 .1907(2) .1821(2) 1.00180(18) .032(2) Uani ? ? 1.00000 ? ?
C131 .0433(3) .4199(3) .8170(3) .018(2) Uani ? ? .50000 ? ?
C132 .0152(4) .4665(4) .7152(3) .024(3) Uani ? ? .50000 ? ?
C133 -.1179(4) .5029(4) .6853(3) .028(3) Uani ? ? .50000 ? ?
C134 -.2221(4) .4878(3) .7562(3) .024(3) Uani ? ? .50000 ? ?
C135 -.1963(4) .4392(3) .8572(3) .024(3) Uani ? ? .50000 ? ?
C136 -.0636(3) .4057(3) .8878(3) .019(2) Uani ? ? .50000 ? ?
C131' .0496(3) .4489(3) .7934(3) .018(3) Uani ? ? .50000 ? ?
C132' .0308(4) .5262(3) .6936(3) .022(3) Uani ? ? .50000 ? ?
C133' -.0969(4) .5658(4) .6538(3) .026(3) Uani ? ? .50000 ? ?
C134' -.2055(4) .5287(4) .7125(3) .028(3) Uani ? ? .50000 ? ?
C135' -.1883(4) .4542(4) .8107(3) .027(3) Uani ? ? .50000 ? ?
C136' -.0607(4) .4147(3) .8517(3) .022(3) Uani ? ? .50000 ? ?
P2 .33071(5) .09281(4) .74257(4) .0187(3) Uani ? ? 1.00000 ? ?
C211 .4605(2) .01275(16) .68064(14) .0226(14) Uani ? ? 1.00000 ? ?
C212 .4686(3) -.10258(19) .69642(17) .043(2) Uani ? ? 1.00000 ? ?
C213 .5659(4) -.1585(2) .6443(2) .064(3) Uani ? ? 1.00000 ? ?
C214 .6567(3) -.1032(3) .5775(2) .063(3) Uani ? ? 1.00000 ? ?
C215 .6509(2) .0091(3) .5632(2) .051(3) Uani ? ? 1.00000 ? ?
C216 .5527(2) .0682(2) .61429(15) .0282(17) Uani ? ? 1.00000 ? ?
C221 .3142(2) -.01405(17) .86859(14) .0237(15) Uani ? ? 1.00000 ? ?
C222 .1916(2) -.04283(18) .91045(16) .0270(16) Uani ? ? 1.00000 ? ?
C223 .1832(3) -.1190(2) 1.00855(17) .034(2) Uani ? ? 1.00000 ? ?
C224 .2963(3) -.1676(2) 1.06680(16) .035(2) Uani ? ? 1.00000 ? ?
C225 .4187(3) -.1400(2) 1.02621(17) .0338(19) Uani ? ? 1.00000 ? ?
C226 .4283(2) -.06358(18) .92760(15) .0282(17) Uani ? ? 1.00000 ? ?
C231 .1803(3) .1010(3) .6967(3) .018(2) Uani ? ? .50000 ? ?
C232 .0737(4) .1952(4) .6951(4) .030(3) Uani ? ? .50000 ? ?
C233 -.0566(4) .2066(4) .6702(4) .038(4) Uani ? ? .50000 ? ?
C234 -.0814(5) .1220(5) .6432(4) .038(4) Uani ? ? .50000 ? ?
C235 .0231(5) .0267(4) .6427(4) .034(4) Uani ? ? .50000 ? ?
C236 .1512(4) .0166(4) .6692(3) .024(3) Uani ? ? .50000 ? ?
C231' .1634(3) .1301(3) .6791(2) .016(2) Uani ? ? .50000 ? ?
C232' .0734(4) .2348(4) .6690(3) .026(3) Uani ? ? .50000 ? ?
C233' -.0510(4) .2659(4) .6246(4) .037(4) Uani ? ? .50000 ? ?
C234' -.0836(4) .1907(4) .5896(4) .036(4) Uani ? ? .50000 ? ?
C235' .0049(5) .0862(4) .5990(4) .036(4) Uani ? ? .50000 ? ?
C236' .1289(4) .0557(4) .6433(3) .028(3) Uani ? ? .50000 ? ?
H1a .56400 .40376 .35768 .03200 Uiso ? ? .50000 ? ?
H1b .57482 .30254 .46070 .03200 Uiso ? ? .50000 ? ?
H2a .78220 .33998 .47593 .11600 Uiso ? ? .50000 ? ?
H2b .77312 .41907 .36346 .11600 Uiso ? ? .50000 ? ?
H3a .76462 .26124 .32381 .15000 Uiso ? ? .50000 ? ?
H3b .78021 .18278 .43615 .15000 Uiso ? ? .50000 ? ?
H4a .98841 .16281 .35152 .21100 Uiso ? ? .50000 ? ?
H4b .99220 .21560 .43036 .21100 Uiso ? ? .50000 ? ?
H4c .97661 .29406 .31803 .21100 Uiso ? ? .50000 ? ?
H112 .47018 .43889 .84496 .02800 Uiso ? ? 1.00000 ? ?
H113 .53246 .58031 .88126 .03300 Uiso ? ? 1.00000 ? ?
H114 .36561 .73466 .90303 .03700 Uiso ? ? 1.00000 ? ?
H115 .13736 .74904 .88632 .05600 Uiso ? ? 1.00000 ? ?
H116 .07393 .60857 .85073 .05200 Uiso ? ? 1.00000 ? ?
H122 .23098 .40597 1.03617 .03300 Uiso ? ? 1.00000 ? ?
H123 .21875 .28324 1.20487 .03700 Uiso ? ? 1.00000 ? ?
H124 .18643 .09895 1.24590 .03900 Uiso ? ? 1.00000 ? ?
H125 .16682 .03613 1.11827 .04300 Uiso ? ? 1.00000 ? ?
H126 .18514 .15523 .95025 .03800 Uiso ? ? 1.00000 ? ?
H132 .08773 .47635 .66416 .03000 Uiso ? ? .50000 ? ?
H133 -.13869 .53689 .61594 .03300 Uiso ? ? .50000 ? ?
H134 -.31347 .50644 .74151 .03300 Uiso ? ? .50000 ? ?
H135 -.26930 .42682 .90739 .02800 Uiso ? ? .50000 ? ?
H136 -.04588 .37338 .96030 .02600 Uiso ? ? .50000 ? ?
H132' .10650 .55286 .65145 .02900 Uiso ? ? .50000 ? ?
H133' -.10903 .61697 .58588 .03300 Uiso ? ? .50000 ? ?
H134' -.29399 .54986 .68903 .03300 Uiso ? ? .50000 ? ?
H135' -.26405 .42742 .85408 .03300 Uiso ? ? .50000 ? ?
H136' -.05079 .36585 .92343 .02600 Uiso ? ? .50000 ? ?
H212 .40611 -.14254 .74356 .05400 Uiso ? ? 1.00000 ? ?
H213 .56735 -.23764 .65499 .08100 Uiso ? ? 1.00000 ? ?
H214 .72312 -.14216 .54228 .07700 Uiso ? ? 1.00000 ? ?
H215 .71459 .04881 .51792 .06300 Uiso ? ? 1.00000 ? ?
H216 .54901 .14702 .60263 .03600 Uiso ? ? 1.00000 ? ?
H222 .11234 -.00900 .87076 .03400 Uiso ? ? 1.00000 ? ?
H223 .09860 -.13833 1.03635 .04100 Uiso ? ? 1.00000 ? ?
H224 .28863 -.21989 1.13438 .04500 Uiso ? ? 1.00000 ? ?
H225 .49889 -.17422 1.06606 .04300 Uiso ? ? 1.00000 ? ?
H226 .51272 -.04448 .89999 .03500 Uiso ? ? 1.00000 ? ?
H232 .09215 .25457 .71135 .03500 Uiso ? ? .50000 ? ?
H233 -.12860 .27173 .67416 .04800 Uiso ? ? .50000 ? ?
H234 -.16952 .12851 .62351 .04900 Uiso ? ? .50000 ? ?
H235 .00608 -.03222 .62577 .04200 Uiso ? ? .50000 ? ?
H236 .22228 -.05161 .67068 .03300 Uiso ? ? .50000 ? ?
H232' .09842 .28710 .68989 .03500 Uiso ? ? .50000 ? ?
H233' -.11361 .33829 .61905 .04500 Uiso ? ? .50000 ? ?
H234' -.16891 .21301 .55790 .04300 Uiso ? ? .50000 ? ?
H235' -.02082 .03187 .58096 .04200 Uiso ? ? .50000 ? ?
H236' .19212 -.01620 .64838 .03300 Uiso ? ? .50000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 76 .002 .002 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
H ? 0 69 0 0 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
Ag ? 0 2 -1.085 1.101 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
Cl ? 0 5 .132 .159 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
P ? 0 4 .09 .095 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
Sn ? 0 1 -.873 1.424 'IT Vol C. Table 6.1.1.4  Table 6.1.1.5'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 Sn Cl2 . . . 86.501(15) ?
Cl1 Sn Cl3 . . . 89.91(3) ?
Cl1 Sn C1 . . . 85.88(12) ?
Cl1 Sn Cl1 . . '2 666' 180.0000 ?
Cl1 Sn Cl2 . . '2 666' 93.499(16) ?
Cl1 Sn Cl3 . . '2 666' 90.09(3) ?
Cl1 Sn C1 . . '2 666' 94.12(12) ?
Cl2 Sn Cl3 . . . 88.98(2) ?
Cl2 Sn C1 . . . 90.39(8) ?
Cl2 Sn Cl1 . . '2 666' 93.499(15) ?
Cl2 Sn Cl2 . . '2 666' 180.0000 ?
Cl2 Sn Cl3 . . '2 666' 91.02(2) ?
Cl2 Sn C1 . . '2 666' 89.61(8) ?
Cl3 Sn Cl1 . . '2 666' 90.09(3) ?
Cl3 Sn Cl2 . . '2 666' 91.02(2) ?
Cl3 Sn Cl3 . . '2 666' 180.0000 ?
Cl3 Sn C1 . . '2 666' 175.64(12) ?
C1 Sn Cl1 . . '2 666' 94.12(12) ?
C1 Sn Cl2 . . '2 666' 89.61(8) ?
C1 Sn Cl3 . . '2 666' 175.64(12) ?
C1 Sn C1 . . '2 666' 180.0000 ?
Cl1 Sn Cl2 '2 666' . '2 666' 86.501(15) ?
Cl1 Sn Cl3 '2 666' . '2 666' 89.91(3) ?
Cl1 Sn C1 '2 666' . '2 666' 85.88(12) ?
Cl2 Sn Cl3 '2 666' . '2 666' 88.98(2) ?
Cl2 Sn C1 '2 666' . '2 666' 90.39(9) ?
Cl1 Ag Cl2 . . . 79.629(15) ?
Cl1 Ag P1 . . . 108.130(18) ?
Cl1 Ag P2 . . . 100.02(2) ?
Cl2 Ag P1 . . . 111.10(2) ?
Cl2 Ag P2 . . . 121.162(18) ?
P1 Ag P2 . . . 123.960(18) ?
Sn Cl1 Ag . . . 94.604(19) ?
Sn Cl2 Ag . . . 97.024(15) ?
Sn Cl3 C1 . . . 42.3(12) ?
Sn Cl3 C2 . . . 115.1(3) ?
C1 Cl3 C2 . . . 157.3(12) ?
Sn C1 C2 . . . 114.4(3) ?
Sn C1 H1a . . . 114.5 ?
Sn C1 H1b . . . 114.8 ?
C2 C1 H1a . . . 101.4 ?
C2 C1 H1b . . . 101.4 ?
H1a C1 H1b . . . 108.8 ?
C1 C2 C3 . . . 112.6(5) ?
C1 C2 H2a . . . 110.7 ?
C1 C2 H2b . . . 111.8 ?
C3 C2 H2a . . . 109.8 ?
C3 C2 H2b . . . 107.2 ?
H2a C2 H2b . . . 104.5 ?
C2 C3 C4 . . . 111.9(5) ?
C2 C3 H3a . . . 111.0 ?
C2 C3 H3b . . . 107.1 ?
C4 C3 H3a . . . 109.6 ?
C4 C3 H3b . . . 107.3 ?
H3a C3 H3b . . . 109.8 ?
C3 C4 H4a . . . 109.9 ?
C3 C4 H4b . . . 108.6 ?
C3 C4 H4c . . . 108.6 ?
H4a C4 H4b . . . 108.5 ?
H4a C4 H4c . . . 112.4 ?
H4b C4 H4c . . . 108.9 ?
Ag P1 C111 . . . 121.08(6) ?
Ag P1 C121 . . . 114.60(7) ?
Ag P1 C131 . . . 109.77(14) ?
Ag P1 C131' . . . 108.02(14) ?
C111 P1 C121 . . . 101.45(11) ?
C111 P1 C131 . . . 109.30(15) ?
C111 P1 C131' . . . 100.94(15) ?
C121 P1 C131 . . . 98.02(12) ?
C121 P1 C131' . . . 109.64(12) ?
P1 C111 C112 . . . 118.12(16) ?
P1 C111 C116 . . . 122.03(18) ?
C112 C111 C116 . . . 119.5(2) ?
C111 C112 C113 . . . 119.87(19) ?
C111 C112 H112 . . . 120.2 ?
C113 C112 H112 . . . 119.9 ?
C112 C113 C114 . . . 120.3(2) ?
C112 C113 H113 . . . 119.8 ?
C114 C113 H113 . . . 119.9 ?
C113 C114 C115 . . . 119.8(3) ?
C113 C114 H114 . . . 120.1 ?
C115 C114 H114 . . . 120.1 ?
C114 C115 C116 . . . 120.4(2) ?
C114 C115 H115 . . . 120.1 ?
C116 C115 H115 . . . 119.5 ?
C111 C116 C115 . . . 120.0(2) ?
C111 C116 H116 . . . 120.6 ?
C115 C116 H116 . . . 119.3 ?
P1 C121 C122 . . . 122.62(17) ?
P1 C121 C126 . . . 118.7(2) ?
C122 C121 C126 . . . 118.71(19) ?
C121 C122 C123 . . . 120.3(2) ?
C121 C122 H122 . . . 119.91 ?
C123 C122 H122 . . . 119.8 ?
C122 C123 C124 . . . 120.3(3) ?
C122 C123 H123 . . . 120.3 ?
C124 C123 H123 . . . 119.5 ?
C123 C124 C125 . . . 119.8(2) ?
C123 C124 H124 . . . 119.8 ?
C125 C124 H124 . . . 120.4 ?
C124 C125 C126 . . . 120.2(3) ?
C124 C125 H125 . . . 119.7 ?
C126 C125 H125 . . . 120.2 ?
C121 C126 C125 . . . 120.8(3) ?
C121 C126 H126 . . . 119.5 ?
C125 C126 H126 . . . 119.7 ?
P1 C131 C132 . . . 115.0(3) ?
P1 C131 C136 . . . 126.1(3) ?
C132 C131 C136 . . . 118.9(3) ?
C131 C132 C133 . . . 120.5(3) ?
C131 C132 H132 . . . 120.8 ?
C133 C132 H132 . . . 118.7 ?
C132 C133 C134 . . . 119.8(4) ?
C132 C133 H133 . . . 121.3 ?
C134 C133 H133 . . . 118.8 ?
C133 C134 C135 . . . 120.6(4) ?
C133 C134 H134 . . . 124.4 ?
C135 C134 H134 . . . 115.0 ?
C134 C135 C136 . . . 120.0(3) ?
C134 C135 H135 . . . 120.8 ?
C136 C135 H135 . . . 119.2 ?
C131 C136 C135 . . . 120.2(3) ?
C131 C136 H136 . . . 120.2 ?
C135 C136 H136 . . . 119.6 ?
P1 C131' C132' . . . 120.9(3) ?
P1 C131' C136' . . . 119.7(2) ?
C132' C131' C136' . . . 119.1(3) ?
C131' C132' C133' . . . 120.4(3) ?
C131' C132' H132' . . . 120.7 ?
C133' C132' H132' . . . 118.9 ?
C132' C133' C134' . . . 119.7(3) ?
C132' C133' H133' . . . 120.2 ?
C134' C133' H133' . . . 120.1 ?
C133' C134' C135' . . . 120.3(4) ?
C133' C134' H134' . . . 123.8 ?
C135' C134' H134' . . . 115.9 ?
C134' C135' C136' . . . 120.5(4) ?
C134' C135' H135' . . . 121.8 ?
C136' C135' H135' . . . 117.7 ?
C131' C136' C135' . . . 120.0(3) ?
C131' C136' H136' . . . 120.2 ?
C135' C136' H136' . . . 119.7 ?
Ag P2 C211 . . . 118.48(7) ?
Ag P2 C221 . . . 115.29(9) ?
Ag P2 C231 . . . 113.91(12) ?
Ag P2 C231' . . . 104.49(11) ?
C211 P2 C221 . . . 103.31(8) ?
C211 P2 C231 . . . 104.77(16) ?
C211 P2 C231' . . . 107.79(14) ?
C221 P2 C231 . . . 98.63(13) ?
C221 P2 C231' . . . 106.86(12) ?
P2 C211 C212 . . . 122.18(17) ?
P2 C211 C216 . . . 118.74(17) ?
C212 C211 C216 . . . 119.1(2) ?
C211 C212 C213 . . . 120.0(3) ?
C211 C212 H212 . . . 119.7 ?
C213 C212 H212 . . . 120.3 ?
C212 C213 C214 . . . 121.1(3) ?
C212 C213 H213 . . . 118.3 ?
C214 C213 H213 . . . 120.6 ?
C213 C214 C215 . . . 119.2(3) ?
C213 C214 H214 . . . 120.5 ?
C215 C214 H214 . . . 120.3 ?
C214 C215 C216 . . . 121.1(3) ?
C214 C215 H215 . . . 120.5 ?
C216 C215 H215 . . . 118.4 ?
C211 C216 C215 . . . 119.6(3) ?
C211 C216 H216 . . . 120.3 ?
C215 C216 H216 . . . 120.1 ?
P2 C221 C222 . . . 123.03(15) ?
P2 C221 C226 . . . 118.10(16) ?
C222 C221 C226 . . . 118.75(17) ?
C221 C222 C223 . . . 120.5(2) ?
C221 C222 H222 . . . 119.54 ?
C223 C222 H222 . . . 119.9 ?
C222 C223 C224 . . . 120.5(2) ?
C222 C223 H223 . . . 119.8 ?
C224 C223 H223 . . . 119.7 ?
C223 C224 C225 . . . 119.58(19) ?
C223 C224 H224 . . . 119.4 ?
C225 C224 H224 . . . 121.0 ?
C224 C225 C226 . . . 120.3(2) ?
C224 C225 H225 . . . 120.3 ?
C226 C225 H225 . . . 119.4 ?
C221 C226 C225 . . . 120.3(2) ?
C221 C226 H226 . . . 119.64 ?
C225 C226 H226 . . . 120.1 ?
P2 C231 C232 . . . 116.7(4) ?
P2 C231 C236 . . . 126.1(3) ?
C232 C231 C236 . . . 116.9(4) ?
C231 C232 C233 . . . 123.0(5) ?
C231 C232 H232 . . . 118.1 ?
C233 C232 H232 . . . 119.0 ?
C232 C233 C234 . . . 118.6(4) ?
C232 C233 H233 . . . 119.7 ?
C234 C233 H233 . . . 121.7 ?
C233 C234 C235 . . . 120.2(5) ?
C233 C234 H234 . . . 120.7 ?
C235 C234 H234 . . . 119.0 ?
C234 C235 C236 . . . 120.0(6) ?
C234 C235 H235 . . . 120.5 ?
C236 C235 H235 . . . 119.5 ?
C231 C236 C235 . . . 121.3(4) ?
C231 C236 H236 . . . 119.6 ?
C235 C236 H236 . . . 119.0 ?
P2 C231' C232' . . . 118.5(4) ?
P2 C231' C236' . . . 122.5(2) ?
C232' C231' C236' . . . 119.0(4) ?
C231' C232' C233' . . . 121.0(5) ?
C231' C232' H232' . . . 119.2 ?
C233' C232' H232' . . . 119.7 ?
C232' C233' C234' . . . 119.2(4) ?
C232' C233' H233' . . . 120.3 ?
C234' C233' H233' . . . 120.5 ?
C233' C234' C235' . . . 120.6(5) ?
C233' C234' H234' . . . 119.0 ?
C235' C234' H234' . . . 120.4 ?
C234' C235' C236' . . . 120.0(6) ?
C234' C235' H235' . . . 120.5 ?
C236' C235' H235' . . . 119.2 ?
C231' C236' C235' . . . 120.2(4) ?
C231' C236' H236' . . . 119.4 ?
C235' C236' H236' . . . 120.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn Cl1 . . 2.5175(6) ?
Sn Cl2 . . 2.5781(4) ?
Sn Cl3 . . 2.3579(11) ?
Sn C1 . . 2.182(4) ?
Sn Cl1 . '2 666' 2.5175(6) ?
Sn Cl2 . '2 666' 2.5781(4) ?
Sn Cl3 . '2 666' 2.3579(11) ?
Sn C1 . '2 666' 2.182(4) ?
Ag Cl1 . . 2.8026(5) ?
Ag Cl2 . . 2.6475(5) ?
Ag P1 . . 2.4692(6) ?
Ag P2 . . 2.4668(6) ?
C1 C2 . . 1.514(6) ?
C1 H1a . . .957 ?
C1 H1b . . .951 ?
C2 C3 . . 1.515(8) ?
C2 H2a . . .981 ?
C2 H2b . . .981 ?
C3 C4 . . 1.518(8) ?
C3 H3a . . .914 ?
C3 H3b . . .982 ?
C4 H4a . . .936 ?
C4 H4b . . .976 ?
C4 H4c . . .931 ?
P1 C111 . . 1.821(3) ?
P1 C121 . . 1.825(2) ?
P1 C131 . . 1.818(4) ?
P1 C131' . . 1.854(3) ?
C111 C112 . . 1.387(3) ?
C111 C116 . . 1.395(3) ?
C112 C113 . . 1.394(4) ?
C112 H112 . . .956 ?
C113 C114 . . 1.389(3) ?
C113 H113 . . .960 ?
C114 C115 . . 1.374(4) ?
C114 H114 . . .959 ?
C115 C116 . . 1.392(5) ?
C115 H115 . . .965 ?
C116 H116 . . .962 ?
C121 C122 . . 1.397(4) ?
C121 C126 . . 1.396(4) ?
C122 C123 . . 1.394(3) ?
C122 H122 . . .952 ?
C123 C124 . . 1.385(4) ?
C123 H123 . . .956 ?
C124 C125 . . 1.387(4) ?
C124 H124 . . .957 ?
C125 C126 . . 1.385(3) ?
C125 H125 . . .949 ?
C126 H126 . . .952 ?
C131 C132 . . 1.397(5) ?
C131 C136 . . 1.391(5) ?
C132 C133 . . 1.392(6) ?
C132 H132 . . .969 ?
C133 C134 . . 1.371(6) ?
C133 H133 . . .957 ?
C134 C135 . . 1.383(6) ?
C134 H134 . . .937 ?
C135 C136 . . 1.393(5) ?
C135 H135 . . .967 ?
C136 H136 . . .991 ?
C131' C132' . . 1.406(5) ?
C131' C136' . . 1.378(5) ?
C132' C133' . . 1.390(6) ?
C132' H132' . . .971 ?
C133' C134' . . 1.378(6) ?
C133' H133' . . .952 ?
C134' C135' . . 1.377(6) ?
C134' H134' . . .947 ?
C135' C136' . . 1.397(6) ?
C135' H135' . . .979 ?
C136' H136' . . .987 ?
P2 C211 . . 1.815(2) ?
P2 C221 . . 1.8310(17) ?
P2 C231 . . 1.727(4) ?
P2 C231' . . 1.918(4) ?
C211 C212 . . 1.402(3) ?
C211 C216 . . 1.382(3) ?
C212 C213 . . 1.383(4) ?
C212 H212 . . .963 ?
C213 C214 . . 1.372(5) ?
C213 H213 . . .973 ?
C214 C215 . . 1.373(6) ?
C214 H214 . . .946 ?
C215 C216 . . 1.401(4) ?
C215 H215 . . .960 ?
C216 H216 . . .959 ?
C221 C222 . . 1.397(3) ?
C221 C226 . . 1.401(3) ?
C222 C223 . . 1.386(3) ?
C222 H222 . . .963 ?
C223 C224 . . 1.387(4) ?
C223 H223 . . .959 ?
C224 C225 . . 1.387(4) ?
C224 H224 . . .956 ?
C225 C226 . . 1.394(3) ?
C225 H225 . . .972 ?
C226 H226 . . .956 ?
C231 C232 . . 1.396(5) ?
C231 C236 . . 1.411(7) ?
C232 C233 . . 1.388(7) ?
C232 H232 . . .957 ?
C233 C234 . . 1.390(10) ?
C233 H233 . . .975 ?
C234 C235 . . 1.402(7) ?
C234 H234 . . .959 ?
C235 C236 . . 1.379(7) ?
C235 H235 . . .951 ?
C236 H236 . . .977 ?
C231' C232' . . 1.386(5) ?
C231' C236' . . 1.397(7) ?
C232' C233' . . 1.400(7) ?
C232' H232' . . .944 ?
C233' C234' . . 1.387(9) ?
C233' H233' . . .964 ?
C234' C235' . . 1.380(7) ?
C234' H234' . . .967 ?
C235' C236' . . 1.396(7) ?
C235' H235' . . .947 ?
C236' H236' . . .963 ?
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
? ? ? ? ? ? ? ? ? ?
