#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:17:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179103 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/65/4306564.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_4306564
loop_
_publ_author_name
'Hari Pada Nayek'
'Werner Massa'
'Stefanie Dehnen'
_publ_contact_author
;
Massa, W.

Fachbereich Chemie der Philipps-Universität
Hans-Meerwein-Str.
D-35043 Marburg, Germany
;
_publ_contact_author_email       massa@chemie.uni-marburg.de
_publ_contact_author_fax         +6421-2828917
_publ_contact_author_phone       +6421-2825525
_publ_section_title
;
A Heterometallic, Heterovalent CuI/SnII/IV/S Cluster with an Unprecedented
Cu4Sn Core and Stannacyclopentane Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9146
_journal_page_last               9148
_journal_paper_doi               10.1021/ic8013877
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C132 H138 Cu10 P6 S12 Sn7'
_chemical_formula_sum            'C132 H138 Cu10 P6 S12 Sn7'
_chemical_formula_weight         3761.19
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.099(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.6227(5)
_cell_length_b                   22.6814(4)
_cell_length_c                   18.8353(5)
_cell_measurement_reflns_used    21939
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      1.33
_cell_volume                     6817.7(3)
_computing_cell_refinement       'XAREA 1.38 (Stoe 2006)'
_computing_data_collection       'XAREA 1.38 (Stoe 2006)'
_computing_data_reduction        'XAREA 1.38 (Stoe 2006)'
_computing_molecular_graphics    'DIAMOND 3.1d (Crystal Impact 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.7
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'IPDS-II (Stoe)'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0830
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38108
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.081
_exptl_absorpt_correction_T_max  0.431
_exptl_absorpt_correction_T_min  0.404
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing (1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bipyramid
_exptl_crystal_F_000             3704
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     794
_refine_ls_number_reflns         14367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.834
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                8789
_reflns_number_total             14367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8013877_si_002.cif
_cod_data_source_block           hp18am
_cod_database_code               4306564
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.17086(11) 0.98347(5) 0.74859(4) 0.0298(3) Uani 0.846(7) 1 d P . 1
Sn1A Sn 0.1454(6) 0.9851(3) 0.7542(3) 0.0298(3) Uani 0.117(6) 1 d P . 2
Sn1B Sn 0.1604(10) 1.0110(13) 0.7524(7) 0.0298(3) Uani 0.032(3) 1 d P . 3
Sn2 Sn 0.19912(2) 0.918013(16) 0.451303(18) 0.03166(9) Uani 1 1 d . . .
Sn3 Sn -0.10486(2) 0.827480(15) 0.522714(18) 0.03171(8) Uani 1 1 d . . .
Sn4 Sn 0.04992(4) 0.94125(3) 0.54518(3) 0.02550(14) Uani 0.50 1 d P . .
Cu1 Cu -0.07826(4) 0.95392(3) 0.66057(3) 0.03489(15) Uani 1 1 d . . .
Cu2 Cu -0.04146(4) 0.87205(3) 0.35060(3) 0.04242(17) Uani 1 1 d . . .
Cu3 Cu 0.24218(5) 1.03859(3) 0.60110(3) 0.04108(17) Uani 1 1 d . . .
Cu4 Cu 0.02639(9) 1.01786(6) 0.43283(6) 0.0280(3) Uani 0.4560(7) 1 d P . .
Cu4A Cu -0.0211(9) 0.9931(6) 0.4073(7) 0.0280(3) Uani 0.0440(7) 1 d P . .
Cu5 Cu 0.01467(8) 1.05201(5) 0.55867(6) 0.0274(3) Uani 0.4560(7) 1 d P . .
Cu5A Cu 0.0615(9) 1.0588(6) 0.5352(6) 0.0274(3) Uani 0.0440(7) 1 d P . .
Cu6 Cu -0.10025(8) 0.98514(6) 0.46084(6) 0.0276(3) Uani 0.4560(7) 1 d P . .
Cu6A Cu -0.0847(8) 1.0045(6) 0.5125(7) 0.0276(3) Uani 0.0440(7) 1 d P . .
Cu7 Cu -0.08673(8) 1.09518(5) 0.42430(6) 0.0293(3) Uani 0.50 1 d P . .
S1 S 0.05603(8) 0.91568(6) 0.67805(6) 0.0334(3) Uani 1 1 d . . .
S2 S -0.15643(8) 0.93445(6) 0.33432(6) 0.0337(3) Uani 1 1 d . . .
S3 S 0.06103(8) 0.94310(5) 0.35857(6) 0.0305(3) Uani 1 1 d . . .
S4 S 0.20636(8) 0.93474(6) 0.58029(6) 0.0337(3) Uani 1 1 d . . .
S5 S 0.16239(8) 1.07778(5) 0.47161(6) 0.0302(3) Uani 1 1 d . . .
S6 S 0.00736(8) 0.84100(5) 0.48347(6) 0.0321(3) Uani 1 1 d . . .
P1 P -0.11208(8) 0.93396(6) 0.75917(6) 0.0309(3) Uani 1 1 d . . .
P2 P -0.06453(10) 0.79710(7) 0.26936(8) 0.0443(4) Uani 1 1 d . . .
P3 P 0.37889(10) 1.05429(6) 0.66677(7) 0.0380(3) Uani 1 1 d . . .
C1 C 0.2823(4) 0.9320(3) 0.7944(3) 0.0538(16) Uani 1 1 d . . .
H1A H 0.2764 0.8961 0.7626 0.065 Uiso 1 1 calc R . 1
H1B H 0.3311 0.9551 0.7970 0.065 Uiso 1 1 calc R . 1
C2 C 0.2904(4) 0.9167(3) 0.8762(4) 0.0675(19) Uani 1 1 d . . .
H2A H 0.2488 0.8859 0.8720 0.081 Uiso 1 1 calc R . .
H2B H 0.3470 0.9004 0.9077 0.081 Uiso 1 1 calc R . .
C3 C 0.2767(4) 0.9701(4) 0.9174(3) 0.070(2) Uani 1 1 d . . .
H3A H 0.3221 0.9990 0.9270 0.084 Uiso 1 1 calc R . .
H3B H 0.2792 0.9580 0.9689 0.084 Uiso 1 1 calc R . .
C4 C 0.1910(4) 0.9995(3) 0.8681(3) 0.0614(18) Uani 1 1 d . . .
H4A H 0.1930 1.0423 0.8791 0.074 Uiso 1 1 calc R A 1
H4B H 0.1461 0.9813 0.8792 0.074 Uiso 1 1 calc R A 1
C5 C 0.2498(3) 0.8341(2) 0.4386(3) 0.0431(13) Uani 1 1 d . . .
H5A H 0.2459 0.8044 0.4754 0.052 Uiso 1 1 calc R . .
H5B H 0.2213 0.8190 0.3843 0.052 Uiso 1 1 calc R . .
C6 C 0.3409(4) 0.8509(3) 0.4593(4) 0.0624(18) Uani 1 1 d . . .
H6A H 0.3718 0.8543 0.5170 0.075 Uiso 1 1 calc R . .
H6B H 0.3675 0.8191 0.4418 0.075 Uiso 1 1 calc R . .
C7 C 0.3482(4) 0.9083(3) 0.4220(4) 0.0635(19) Uani 1 1 d . . .
H7A H 0.3252 0.9026 0.3645 0.076 Uiso 1 1 calc R . .
H7B H 0.4083 0.9184 0.4410 0.076 Uiso 1 1 calc R . .
C8 C 0.3026(3) 0.9601(3) 0.4392(3) 0.0471(14) Uani 1 1 d . . .
H8A H 0.2826 0.9887 0.3954 0.057 Uiso 1 1 calc R . .
H8B H 0.3395 0.9806 0.4881 0.057 Uiso 1 1 calc R . .
C9 C -0.1891(4) 0.7562(3) 0.4602(3) 0.0479(14) Uani 1 1 d . . .
H9A H -0.2463 0.7710 0.4279 0.058 Uiso 1 1 calc R . .
H9B H -0.1684 0.7345 0.4264 0.058 Uiso 1 1 calc R . .
C10 C -0.1869(4) 0.7171(3) 0.5288(3) 0.0566(17) Uani 1 1 d . . .
H10A H -0.2282 0.7325 0.5469 0.068 Uiso 1 1 calc R . .
H10B H -0.2042 0.6766 0.5090 0.068 Uiso 1 1 calc R . .
C11 C -0.1031(5) 0.7146(3) 0.5968(3) 0.0588(18) Uani 1 1 d . . .
H11A H -0.0632 0.6945 0.5805 0.071 Uiso 1 1 calc R . .
H11B H -0.1074 0.6910 0.6391 0.071 Uiso 1 1 calc R . .
C12 C -0.0696(4) 0.7749(2) 0.6280(3) 0.0425(13) Uani 1 1 d . . .
H12A H -0.0080 0.7741 0.6585 0.051 Uiso 1 1 calc R . .
H12B H -0.0956 0.7904 0.6617 0.051 Uiso 1 1 calc R . .
C13 C -0.1745(3) 0.8687(2) 0.7539(3) 0.0413(12) Uani 1 1 d . . .
C14 C -0.2261(4) 0.8453(3) 0.6835(4) 0.0549(16) Uani 1 1 d . . .
H14 H -0.2319 0.8634 0.6360 0.066 Uiso 1 1 calc R . .
C15 C -0.2714(5) 0.7929(4) 0.6822(5) 0.079(2) Uani 1 1 d . . .
H15 H -0.3070 0.7750 0.6339 0.095 Uiso 1 1 calc R . .
C16 C -0.2625(6) 0.7688(3) 0.7525(5) 0.075(2) Uani 1 1 d . . .
H16 H -0.2899 0.7325 0.7515 0.090 Uiso 1 1 calc R . .
C17 C -0.2170(5) 0.7939(3) 0.8221(5) 0.077(2) Uani 1 1 d . . .
H17 H -0.2172 0.7787 0.8690 0.092 Uiso 1 1 calc R . .
C18 C -0.1704(5) 0.8420(3) 0.8230(4) 0.075(2) Uani 1 1 d . . .
H18 H -0.1337 0.8582 0.8722 0.090 Uiso 1 1 calc R . .
C19 C -0.1667(3) 0.9931(2) 0.7855(2) 0.0357(12) Uani 1 1 d . . .
C20 C -0.2397(4) 0.9846(3) 0.7930(3) 0.0583(16) Uani 1 1 d . . .
H20 H -0.2627 0.9462 0.7889 0.070 Uiso 1 1 calc R . .
C21 C -0.2807(4) 1.0341(4) 0.8071(4) 0.070(2) Uani 1 1 d . . .
H21 H -0.3313 1.0287 0.8127 0.084 Uiso 1 1 calc R . .
C22 C -0.2490(4) 1.0884(3) 0.8125(3) 0.0586(18) Uani 1 1 d . . .
H22 H -0.2777 1.1210 0.8214 0.070 Uiso 1 1 calc R . .
C23 C -0.1756(5) 1.0974(3) 0.8055(3) 0.0555(17) Uani 1 1 d . . .
H23 H -0.1521 1.1358 0.8112 0.067 Uiso 1 1 calc R . .
C24 C -0.1367(4) 1.0501(2) 0.7901(3) 0.0437(14) Uani 1 1 d . . .
H24 H -0.0876 1.0566 0.7822 0.052 Uiso 1 1 calc R . .
C25 C -0.0181(3) 0.9194(2) 0.8490(2) 0.0315(11) Uani 1 1 d . . .
C26 C 0.0103(3) 0.9536(2) 0.9169(2) 0.0389(13) Uani 1 1 d . . .
H26 H -0.0211 0.9869 0.9192 0.047 Uiso 1 1 calc R . .
C27 C 0.0841(4) 0.9392(3) 0.9809(3) 0.0477(15) Uani 1 1 d . . .
H27 H 0.1023 0.9626 1.0270 0.057 Uiso 1 1 calc R . .
C28 C 0.1315(4) 0.8912(3) 0.9785(3) 0.0455(14) Uani 1 1 d . . .
H28 H 0.1820 0.8817 1.0226 0.055 Uiso 1 1 calc R . .
C29 C 0.1046(3) 0.8574(2) 0.9114(3) 0.0401(12) Uani 1 1 d . . .
H29 H 0.1363 0.8241 0.9094 0.048 Uiso 1 1 calc R . .
C30 C 0.0319(3) 0.8718(2) 0.8473(3) 0.0375(12) Uani 1 1 d . . .
H30 H 0.0151 0.8489 0.8008 0.045 Uiso 1 1 calc R . .
C31 C -0.0083(4) 0.7314(3) 0.3173(3) 0.0494(15) Uani 1 1 d . . .
C32 C 0.0748(5) 0.7344(3) 0.3613(6) 0.099(3) Uani 1 1 d . . .
H32 H 0.1027 0.7705 0.3626 0.119 Uiso 1 1 calc R . .
C33 C 0.1220(5) 0.6873(4) 0.4047(5) 0.096(3) Uani 1 1 d . . .
H33 H 0.1804 0.6918 0.4357 0.115 Uiso 1 1 calc R . .
C34 C 0.0847(5) 0.6352(3) 0.4028(4) 0.070(2) Uani 1 1 d . . .
H34 H 0.1170 0.6017 0.4286 0.084 Uiso 1 1 calc R . .
C35 C -0.0008(5) 0.6313(3) 0.3632(3) 0.0645(19) Uani 1 1 d . . .
H35 H -0.0283 0.5955 0.3642 0.077 Uiso 1 1 calc R . .
C36 C -0.0481(5) 0.6801(3) 0.3209(3) 0.0574(16) Uani 1 1 d . . .
H36 H -0.1075 0.6775 0.2948 0.069 Uiso 1 1 calc R . .
C37 C -0.0402(4) 0.8086(2) 0.1849(3) 0.0432(13) Uani 1 1 d . . .
C38 C -0.0015(5) 0.7689(3) 0.1583(4) 0.0637(18) Uani 1 1 d . . .
H38 H 0.0196 0.7334 0.1867 0.076 Uiso 1 1 calc R . .
C39 C 0.0078(5) 0.7795(3) 0.0894(4) 0.069(2) Uani 1 1 d . . .
H39 H 0.0346 0.7508 0.0712 0.083 Uiso 1 1 calc R . .
C40 C -0.0206(4) 0.8298(3) 0.0483(3) 0.0527(15) Uani 1 1 d . . .
H40 H -0.0165 0.8359 0.0002 0.063 Uiso 1 1 calc R . .
C41 C -0.0555(5) 0.8719(3) 0.0773(3) 0.068(2) Uani 1 1 d . . .
H41 H -0.0737 0.9083 0.0504 0.081 Uiso 1 1 calc R . .
C42 C -0.0644(5) 0.8615(3) 0.1464(3) 0.0632(19) Uani 1 1 d . . .
H42 H -0.0874 0.8913 0.1670 0.076 Uiso 1 1 calc R . .
C43 C -0.1734(4) 0.7730(2) 0.2216(3) 0.0455(14) Uani 1 1 d . . .
C44 C -0.2096(4) 0.7488(3) 0.1476(3) 0.0535(16) Uani 1 1 d . . .
H44 H -0.1782 0.7460 0.1174 0.064 Uiso 1 1 calc R . .
C45 C -0.2913(4) 0.7286(3) 0.1170(3) 0.0577(17) Uani 1 1 d . . .
H45 H -0.3167 0.7134 0.0652 0.069 Uiso 1 1 calc R . .
C46 C -0.3359(4) 0.7308(3) 0.1621(3) 0.0551(16) Uani 1 1 d . . .
H46 H -0.3910 0.7151 0.1422 0.066 Uiso 1 1 calc R . .
C47 C -0.3014(4) 0.7553(3) 0.2350(3) 0.0542(16) Uani 1 1 d . . .
H47 H -0.3327 0.7572 0.2654 0.065 Uiso 1 1 calc R . .
C48 C -0.2212(4) 0.7773(3) 0.2645(3) 0.0526(15) Uani 1 1 d . . .
H48 H -0.1981 0.7957 0.3145 0.063 Uiso 1 1 calc R . .
C49 C 0.4229(4) 1.1206(2) 0.6431(3) 0.0420(13) Uani 1 1 d . . .
C50 C 0.3856(5) 1.1428(4) 0.5690(4) 0.094(3) Uani 1 1 d . . .
H50 H 0.3358 1.1252 0.5312 0.113 Uiso 1 1 calc R . .
C51 C 0.4204(6) 1.1905(5) 0.5491(6) 0.137(5) Uani 1 1 d . . .
H51 H 0.3950 1.2049 0.4968 0.164 Uiso 1 1 calc R . .
C52 C 0.4896(6) 1.2177(3) 0.6018(5) 0.074(2) Uani 1 1 d . . .
H52 H 0.5125 1.2508 0.5868 0.089 Uiso 1 1 calc R . .
C53 C 0.5253(6) 1.1976(3) 0.6750(4) 0.094(3) Uani 1 1 d . . .
H53 H 0.5739 1.2162 0.7130 0.112 Uiso 1 1 calc R . .
C54 C 0.4910(6) 1.1493(4) 0.6949(4) 0.096(3) Uani 1 1 d . . .
H54 H 0.5164 1.1356 0.7475 0.116 Uiso 1 1 calc R . .
C55 C 0.4172(4) 1.0609(2) 0.7733(3) 0.0387(12) Uani 1 1 d . . .
C56 C 0.3719(4) 1.0975(3) 0.8006(3) 0.0464(14) Uani 1 1 d . . .
H56 H 0.3220 1.1158 0.7644 0.056 Uiso 1 1 calc R . .
C57 C 0.3993(4) 1.1073(3) 0.8813(3) 0.0566(17) Uani 1 1 d . . .
H57 H 0.3690 1.1330 0.8997 0.068 Uiso 1 1 calc R . .
C58 C 0.4702(5) 1.0795(3) 0.9332(3) 0.0613(18) Uani 1 1 d . . .
H58 H 0.4891 1.0860 0.9879 0.074 Uiso 1 1 calc R . .
C59 C 0.5142(4) 1.0423(3) 0.9069(3) 0.0607(18) Uani 1 1 d . . .
H59 H 0.5623 1.0224 0.9435 0.073 Uiso 1 1 calc R . .
C60 C 0.4888(4) 1.0335(3) 0.8270(3) 0.0485(15) Uani 1 1 d . . .
H60 H 0.5206 1.0087 0.8092 0.058 Uiso 1 1 calc R . .
C61 C 0.4442(4) 0.9959(2) 0.6567(3) 0.0420(13) Uani 1 1 d . . .
C62 C 0.5038(4) 1.0041(3) 0.6297(4) 0.0600(17) Uani 1 1 d . . .
H62 H 0.5144 1.0427 0.6165 0.072 Uiso 1 1 calc R . .
C63 C 0.5492(5) 0.9572(3) 0.6212(4) 0.074(2) Uani 1 1 d . . .
H63 H 0.5886 0.9635 0.5998 0.089 Uiso 1 1 calc R . .
C64 C 0.5380(4) 0.9017(3) 0.6433(4) 0.0632(17) Uani 1 1 d . . .
H64 H 0.5719 0.8699 0.6407 0.076 Uiso 1 1 calc R . .
C65 C 0.4775(5) 0.8925(3) 0.6690(4) 0.0647(18) Uani 1 1 d . . .
H65 H 0.4680 0.8539 0.6829 0.078 Uiso 1 1 calc R . .
C66 C 0.4299(4) 0.9386(3) 0.6752(3) 0.0520(15) Uani 1 1 d . . .
H66 H 0.3870 0.9314 0.6921 0.062 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
_geom_angle_publ_flag
C1 Sn1 C4 87.4(2) . . ?
C1 Sn1 S2 121.35(18) . 3_576 ?
C4 Sn1 S2 118.6(2) . 3_576 ?
C1 Sn1 S1 106.57(18) . . ?
C4 Sn1 S1 114.0(2) . . ?
S2 Sn1 S1 107.68(5) 3_576 . ?
C1 Sn1 Cu4A 139.4(3) . 3_576 ?
C4 Sn1 Cu4A 131.9(3) . 3_576 ?
S2 Sn1 Cu4A 54.7(3) 3_576 3_576 ?
S1 Sn1 Cu4A 53.5(3) . 3_576 ?
C4 Sn1A S1 131.2(5) . . ?
C4 Sn1A C1 81.7(3) . . ?
S1 Sn1A C1 100.4(3) . . ?
C4 Sn1A S2 119.1(3) . 3_576 ?
S1 Sn1A S2 108.14(18) . 3_576 ?
C1 Sn1A S2 102.2(4) . 3_576 ?
C4 Sn1A Cu4A 151.4(5) . 3_576 ?
S1 Sn1A Cu4A 56.4(3) . 3_576 ?
C1 Sn1A Cu4A 126.3(4) . 3_576 ?
S2 Sn1A Cu4A 55.2(3) 3_576 3_576 ?
S2 Sn1B C4 147.9(14) 3_576 . ?
S2 Sn1B C1 113.6(7) 3_576 . ?
C4 Sn1B C1 77.2(7) . . ?
S2 Sn1B S1 106.1(6) 3_576 . ?
C4 Sn1B S1 104.9(8) . . ?
C1 Sn1B S1 84.5(8) . . ?
S2 Sn1B Cu4A 58.1(4) 3_576 3_576 ?
C4 Sn1B Cu4A 144.4(7) . 3_576 ?
C1 Sn1B Cu4A 119.9(9) . 3_576 ?
S1 Sn1B Cu4A 51.9(4) . 3_576 ?
C8 Sn2 C5 88.3(2) . . ?
C8 Sn2 S3 117.59(16) . . ?
C5 Sn2 S3 118.09(15) . . ?
C8 Sn2 S4 110.63(14) . . ?
C5 Sn2 S4 113.80(14) . . ?
S3 Sn2 S4 107.59(4) . . ?
C8 Sn2 Cu6A 116.8(3) . 3_576 ?
C5 Sn2 Cu6A 154.5(3) . 3_576 ?
S3 Sn2 Cu6A 56.3(2) . 3_576 ?
S4 Sn2 Cu6A 54.9(2) . 3_576 ?
C12 Sn3 C9 87.2(2) . . ?
C12 Sn3 S5 114.50(15) . 3_576 ?
C9 Sn3 S5 119.09(17) . 3_576 ?
C12 Sn3 S6 113.41(15) . . ?
C9 Sn3 S6 112.96(15) . . ?
S5 Sn3 S6 108.52(4) 3_576 . ?
C12 Sn3 Cu5A 141.4(3) . 3_576 ?
C9 Sn3 Cu5A 131.2(3) . 3_576 ?
S5 Sn3 Cu5A 55.1(3) 3_576 3_576 ?
S6 Sn3 Cu5A 54.1(3) . 3_576 ?
Cu7 Sn4 Cu5 127.95(8) 3_576 3_576 ?
Cu7 Sn4 Cu4 128.08(8) 3_576 3_576 ?
Cu5 Sn4 Cu4 90.93(6) 3_576 3_576 ?
Cu7 Sn4 Cu5A 128.3(4) 3_576 3_576 ?
Cu5 Sn4 Cu5A 34.4(4) 3_576 3_576 ?
Cu4 Sn4 Cu5A 64.5(4) 3_576 3_576 ?
Cu7 Sn4 Cu6A 122.8(4) 3_576 3_576 ?
Cu5 Sn4 Cu6A 62.3(4) 3_576 3_576 ?
Cu4 Sn4 Cu6A 104.4(4) 3_576 3_576 ?
Cu5A Sn4 Cu6A 91.1(5) 3_576 3_576 ?
Cu7 Sn4 Cu4A 125.2(4) 3_576 3_576 ?
Cu5 Sn4 Cu4A 105.7(4) 3_576 3_576 ?
Cu4 Sn4 Cu4A 29.4(4) 3_576 3_576 ?
Cu5A Sn4 Cu4A 89.1(6) 3_576 3_576 ?
Cu6A Sn4 Cu4A 88.8(6) 3_576 3_576 ?
Cu7 Sn4 Cu6 121.36(9) 3_576 3_576 ?
Cu5 Sn4 Cu6 87.54(6) 3_576 3_576 ?
Cu4 Sn4 Cu6 88.55(6) 3_576 3_576 ?
Cu5A Sn4 Cu6 107.5(4) 3_576 3_576 ?
Cu6A Sn4 Cu6 30.2(4) 3_576 3_576 ?
Cu4A Sn4 Cu6 64.6(4) 3_576 3_576 ?
Cu7 Sn4 S6 62.57(7) 3_576 . ?
Cu5 Sn4 S6 69.44(5) 3_576 . ?
Cu4 Sn4 S6 117.44(6) 3_576 . ?
Cu5A Sn4 S6 68.1(4) 3_576 . ?
Cu6A Sn4 S6 115.1(4) 3_576 . ?
Cu4A Sn4 S6 146.3(5) 3_576 . ?
Cu6 Sn4 S6 144.48(5) 3_576 . ?
Cu7 Sn4 S1 61.54(7) 3_576 . ?
Cu5 Sn4 S1 146.66(6) 3_576 . ?
Cu4 Sn4 S1 67.46(5) 3_576 . ?
Cu5A Sn4 S1 112.6(4) 3_576 . ?
Cu6A Sn4 S1 145.5(4) 3_576 . ?
Cu4A Sn4 S1 67.9(4) 3_576 . ?
Cu6 Sn4 S1 115.61(5) 3_576 . ?
S6 Sn4 S1 97.42(5) . . ?
Cu7 Sn4 S4 57.83(8) 3_576 . ?
Cu5 Sn4 S4 113.65(5) 3_576 . ?
Cu4 Sn4 S4 142.35(6) 3_576 . ?
Cu5A Sn4 S4 147.4(4) 3_576 . ?
Cu6A Sn4 S4 67.1(4) 3_576 . ?
Cu4A Sn4 S4 113.3(5) 3_576 . ?
Cu6 Sn4 S4 65.76(5) 3_576 . ?
S6 Sn4 S4 98.33(5) . . ?
S1 Sn4 S4 98.20(4) . . ?
Cu7 Sn4 Cu6A 147.5(3) 3_576 . ?
Cu5 Sn4 Cu6A 66.8(3) 3_576 . ?
Cu4 Sn4 Cu6A 24.4(3) 3_576 . ?
Cu5A Sn4 Cu6A 44.5(5) 3_576 . ?
Cu6A Sn4 Cu6A 89.5(5) 3_576 . ?
Cu4A Sn4 Cu6A 44.6(5) 3_576 . ?
Cu6 Sn4 Cu6A 84.5(3) 3_576 . ?
S6 Sn4 Cu6A 108.9(3) . . ?
S1 Sn4 Cu6A 90.7(3) . . ?
S4 Sn4 Cu6A 150.0(3) . . ?
Cu7 Sn4 Cu5 144.18(7) 3_576 . ?
Cu5 Sn4 Cu5 87.57(5) 3_576 . ?
Cu4 Sn4 Cu5 42.49(5) 3_576 . ?
Cu5A Sn4 Cu5 82.6(4) 3_576 . ?
Cu6A Sn4 Cu5 65.5(4) 3_576 . ?
Cu4A Sn4 Cu5 24.5(4) 3_576 . ?
Cu6 Sn4 Cu5 46.10(5) 3_576 . ?
S6 Sn4 Cu5 150.68(5) . . ?
S1 Sn4 Cu5 92.08(4) . . ?
S4 Sn4 Cu5 107.70(5) . . ?
Cu6A Sn4 Cu5 43.0(3) . . ?
P1 Cu1 Cu4 172.44(6) . 3_576 ?
P1 Cu1 S3 114.77(5) . 3_576 ?
Cu4 Cu1 S3 61.10(4) 3_576 3_576 ?
P1 Cu1 S5 122.53(5) . 3_576 ?
Cu4 Cu1 S5 65.04(5) 3_576 3_576 ?
S3 Cu1 S5 101.36(4) 3_576 3_576 ?
P1 Cu1 S1 114.10(5) . . ?
Cu4 Cu1 S1 62.38(4) 3_576 . ?
S3 Cu1 S1 101.03(5) 3_576 . ?
S5 Cu1 S1 99.93(5) 3_576 . ?
P1 Cu1 Cu4A 153.9(3) . 3_576 ?
Cu4 Cu1 Cu4A 18.6(3) 3_576 3_576 ?
S3 Cu1 Cu4A 51.6(3) 3_576 3_576 ?
S5 Cu1 Cu4A 83.5(3) 3_576 3_576 ?
S1 Cu1 Cu4A 57.0(3) . 3_576 ?
P1 Cu1 Cu6A 160.8(3) . . ?
Cu4 Cu1 Cu6A 23.1(3) 3_576 . ?
S3 Cu1 Cu6A 56.0(3) 3_576 . ?
S5 Cu1 Cu6A 51.9(3) 3_576 . ?
S1 Cu1 Cu6A 84.9(3) . . ?
Cu4A Cu1 Cu6A 36.8(4) 3_576 . ?
P2 Cu2 Cu5 177.26(6) . 3_576 ?
P2 Cu2 S3 118.53(6) . . ?
Cu5 Cu2 S3 62.63(4) 3_576 . ?
P2 Cu2 S6 112.27(6) . . ?
Cu5 Cu2 S6 65.00(4) 3_576 . ?
S3 Cu2 S6 102.01(5) . . ?
P2 Cu2 S2 118.16(6) . . ?
Cu5 Cu2 S2 63.37(5) 3_576 . ?
S3 Cu2 S2 100.80(5) . . ?
S6 Cu2 S2 102.67(5) . . ?
P2 Cu2 Cu5A 156.5(3) . 3_576 ?
Cu5 Cu2 Cu5A 22.4(3) 3_576 3_576 ?
S3 Cu2 Cu5A 85.0(3) . 3_576 ?
S6 Cu2 Cu5A 57.7(3) . 3_576 ?
S2 Cu2 Cu5A 52.3(3) . 3_576 ?
P2 Cu2 Cu4A 159.8(2) . . ?
Cu5 Cu2 Cu4A 22.9(2) 3_576 . ?
S3 Cu2 Cu4A 50.6(3) . . ?
S6 Cu2 Cu4A 87.7(2) . . ?
S2 Cu2 Cu4A 56.8(3) . . ?
Cu5A Cu2 Cu4A 39.4(4) 3_576 . ?
P3 Cu3 Cu6 174.95(6) . 3_576 ?
P3 Cu3 S2 116.54(5) . 3_576 ?
Cu6 Cu3 S2 62.43(4) 3_576 3_576 ?
P3 Cu3 S5 122.27(5) . . ?
Cu6 Cu3 S5 62.42(4) 3_576 . ?
S2 Cu3 S5 101.40(5) 3_576 . ?
P3 Cu3 S4 113.07(5) . . ?
Cu6 Cu3 S4 62.91(5) 3_576 . ?
S2 Cu3 S4 98.82(5) 3_576 . ?
S5 Cu3 S4 101.21(5) . . ?
P3 Cu3 Cu6A 161.7(3) . 3_576 ?
Cu6 Cu3 Cu6A 18.7(3) 3_576 3_576 ?
S2 Cu3 Cu6A 81.2(3) 3_576 3_576 ?
S5 Cu3 Cu6A 53.5(2) . 3_576 ?
S4 Cu3 Cu6A 56.3(3) . 3_576 ?
P3 Cu3 Cu5A 160.1(3) . . ?
Cu6 Cu3 Cu5A 22.9(3) 3_576 . ?
S2 Cu3 Cu5A 50.5(2) 3_576 . ?
S5 Cu3 Cu5A 56.6(2) . . ?
S4 Cu3 Cu5A 85.5(3) . . ?
Cu6A Cu3 Cu5A 36.9(4) 3_576 . ?
Cu4A Cu4 Cu6A 115.4(10) . 3_576 ?
Cu4A Cu4 Cu5 38.3(8) . 3_576 ?
Cu6A Cu4 Cu5 77.4(6) 3_576 3_576 ?
Cu4A Cu4 Sn4 80.8(8) . 3_576 ?
Cu6A Cu4 Sn4 117.5(6) 3_576 3_576 ?
Cu5 Cu4 Sn4 93.75(7) 3_576 3_576 ?
Cu4A Cu4 Cu6 125.7(7) . 3_576 ?
Cu6A Cu4 Cu6 28.8(6) 3_576 3_576 ?
Cu5 Cu4 Cu6 89.77(7) 3_576 3_576 ?
Sn4 Cu4 Cu6 91.18(6) 3_576 3_576 ?
Cu4A Cu4 Cu5A 127.7(8) . . ?
Cu6A Cu4 Cu5A 64.6(7) 3_576 . ?
Cu5 Cu4 Cu5A 107.5(4) 3_576 . ?
Sn4 Cu4 Cu5A 59.8(4) 3_576 . ?
Cu6 Cu4 Cu5A 35.9(4) 3_576 . ?
Cu4A Cu4 Cu1 108.3(7) . 3_576 ?
Cu6A Cu4 Cu1 106.6(6) 3_576 3_576 ?
Cu5 Cu4 Cu1 127.08(7) 3_576 3_576 ?
Sn4 Cu4 Cu1 125.57(6) 3_576 3_576 ?
Cu6 Cu4 Cu1 119.25(8) 3_576 3_576 ?
Cu5A Cu4 Cu1 122.0(4) . 3_576 ?
Cu4A Cu4 S3 71.3(8) . . ?
Cu6A Cu4 S3 82.4(6) 3_576 . ?
Cu5 Cu4 S3 69.00(6) 3_576 . ?
Sn4 Cu4 S3 151.05(8) 3_576 . ?
Cu6 Cu4 S3 111.07(8) 3_576 . ?
Cu5A Cu4 S3 146.3(4) . . ?
Cu1 Cu4 S3 59.73(4) 3_576 . ?
Cu4A Cu4 S1 81.8(8) . 3_576 ?
Cu6A Cu4 S1 161.6(6) 3_576 3_576 ?
Cu5 Cu4 S1 120.10(8) 3_576 3_576 ?
Sn4 Cu4 S1 69.95(5) 3_576 3_576 ?
Cu6 Cu4 S1 144.64(9) 3_576 3_576 ?
Cu5A Cu4 S1 111.2(4) . 3_576 ?
Cu1 Cu4 S1 59.21(4) 3_576 3_576 ?
S3 Cu4 S1 98.01(5) . 3_576 ?
Cu4A Cu4 Cu5A 39.6(7) . 3_576 ?
Cu6A Cu4 Cu5A 84.0(7) 3_576 3_576 ?
Cu5 Cu4 Cu5A 20.7(3) 3_576 3_576 ?
Sn4 Cu4 Cu5A 73.4(3) 3_576 3_576 ?
Cu6 Cu4 Cu5A 86.5(3) 3_576 3_576 ?
Cu5A Cu4 Cu5A 93.4(5) . 3_576 ?
Cu1 Cu4 Cu5A 144.3(3) 3_576 3_576 ?
S3 Cu4 Cu5A 89.2(3) . 3_576 ?
S1 Cu4 Cu5A 114.4(3) 3_576 3_576 ?
Cu4A Cu4 S5 165.3(7) . . ?
Cu6A Cu4 S5 68.2(6) 3_576 . ?
Cu5 Cu4 S5 144.10(8) 3_576 . ?
Sn4 Cu4 S5 110.79(7) 3_576 . ?
Cu6 Cu4 S5 64.82(6) 3_576 . ?
Cu5A Cu4 S5 67.0(4) . . ?
Cu1 Cu4 S5 57.79(4) 3_576 . ?
S3 Cu4 S5 95.77(6) . . ?
S1 Cu4 S5 93.45(6) 3_576 . ?
Cu5A Cu4 S5 150.8(3) 3_576 . ?
Cu4A Cu4 Cu5 104.2(7) . . ?
Cu6A Cu4 Cu5 73.5(6) 3_576 . ?
Cu5 Cu4 Cu5 89.47(6) 3_576 . ?
Sn4 Cu4 Cu5 44.29(4) 3_576 . ?
Cu6 Cu4 Cu5 47.06(5) 3_576 . ?
Cu5A Cu4 Cu5 23.5(4) . . ?
Cu1 Cu4 Cu5 143.12(7) 3_576 . ?
S3 Cu4 Cu5 150.79(6) . . ?
S1 Cu4 Cu5 110.10(6) 3_576 . ?
Cu5A Cu4 Cu5 72.4(3) 3_576 . ?
S5 Cu4 Cu5 90.49(6) . . ?
Cu4 Cu4A Cu5 111.9(12) . 3_576 ?
Cu4 Cu4A Cu6A 36.7(7) . 3_576 ?
Cu5 Cu4A Cu6A 75.5(8) 3_576 3_576 ?
Cu4 Cu4A Sn4 69.8(8) . 3_576 ?
Cu5 Cu4A Sn4 113.6(8) 3_576 3_576 ?
Cu6A Cu4A Sn4 88.3(7) 3_576 3_576 ?
Cu4 Cu4A Cu5A 122.1(10) . 3_576 ?
Cu5 Cu4A Cu5A 31.1(6) 3_576 3_576 ?
Cu6A Cu4A Cu5A 92.5(7) 3_576 3_576 ?
Sn4 Cu4A Cu5A 88.7(6) 3_576 3_576 ?
Cu4 Cu4A Cu6 116.1(9) . . ?
Cu5 Cu4A Cu6 65.5(6) 3_576 . ?
Cu6A Cu4A Cu6 105.3(6) 3_576 . ?
Sn4 Cu4A Cu6 57.7(4) 3_576 . ?
Cu5A Cu4A Cu6 34.8(5) 3_576 . ?
Cu4 Cu4A S3 85.8(9) . . ?
Cu5 Cu4A S3 81.9(7) 3_576 . ?
Cu6A Cu4A S3 75.7(6) 3_576 . ?
Sn4 Cu4A S3 154.5(8) 3_576 . ?
Cu5A Cu4A S3 111.4(7) 3_576 . ?
Cu6 Cu4A S3 145.5(7) . . ?
Cu4 Cu4A S1 76.4(8) . 3_576 ?
Cu5 Cu4A S1 171.7(11) 3_576 3_576 ?
Cu6A Cu4A S1 112.8(8) 3_576 3_576 ?
Sn4 Cu4A S1 67.7(4) 3_576 3_576 ?
Cu5A Cu4A S1 143.8(8) 3_576 3_576 ?
Cu6 Cu4A S1 110.6(6) . 3_576 ?
S3 Cu4A S1 100.0(4) . 3_576 ?
Cu4 Cu4A Cu6 36.6(5) . 3_576 ?
Cu5 Cu4A Cu6 78.0(6) 3_576 3_576 ?
Cu6A Cu4A Cu6 18.6(4) 3_576 3_576 ?
Sn4 Cu4A Cu6 70.9(4) 3_576 3_576 ?
Cu5A Cu4A Cu6 85.9(5) 3_576 3_576 ?
Cu6 Cu4A Cu6 90.1(4) . 3_576 ?
S3 Cu4A Cu6 94.3(5) . 3_576 ?
S1 Cu4A Cu6 109.8(6) 3_576 3_576 ?
Cu4 Cu4A S2 175.1(11) . . ?
Cu5 Cu4A S2 72.3(7) 3_576 . ?
Cu6A Cu4A S2 147.7(8) 3_576 . ?
Sn4 Cu4A S2 106.4(6) 3_576 . ?
Cu5A Cu4A S2 60.2(6) 3_576 . ?
Cu6 Cu4A S2 62.9(4) . . ?
S3 Cu4A S2 97.4(5) . . ?
S1 Cu4A S2 99.4(5) 3_576 . ?
Cu6 Cu4A S2 146.0(5) 3_576 . ?
Cu4 Cu4A Sn4 79.4(7) . . ?
Cu5 Cu4A Sn4 35.5(4) 3_576 . ?
Cu6A Cu4A Sn4 46.4(5) 3_576 . ?
Sn4 Cu4A Sn4 89.7(4) 3_576 . ?
Cu5A Cu4A Sn4 46.2(5) 3_576 . ?
Cu6 Cu4A Sn4 67.2(3) . . ?
S3 Cu4A Sn4 93.2(5) . . ?
S1 Cu4A Sn4 151.3(6) 3_576 . ?
Cu6 Cu4A Sn4 43.4(2) 3_576 . ?
S2 Cu4A Sn4 104.0(5) . . ?
Cu4 Cu4A Cu7 76.1(8) . . ?
Cu5 Cu4A Cu7 129.0(8) 3_576 . ?
Cu6A Cu4A Cu7 102.5(7) 3_576 . ?
Sn4 Cu4A Cu7 18.89(16) 3_576 . ?
Cu5A Cu4A Cu7 100.4(6) 3_576 . ?
Cu6 Cu4A Cu7 66.2(4) . . ?
S3 Cu4A Cu7 148.2(6) . . ?
S1 Cu4A Cu7 50.6(3) 3_576 . ?
Cu6 Cu4A Cu7 86.7(4) 3_576 . ?
S2 Cu4A Cu7 99.4(5) . . ?
Sn4 Cu4A Cu7 108.5(4) . . ?
Cu5A Cu5 Cu4A 115.0(10) . 3_576 ?
Cu5A Cu5 Cu4 124.4(7) . 3_576 ?
Cu4A Cu5 Cu4 29.8(7) 3_576 3_576 ?
Cu5A Cu5 Sn4 77.8(6) . 3_576 ?
Cu4A Cu5 Sn4 122.0(7) 3_576 3_576 ?
Cu4 Cu5 Sn4 94.55(7) 3_576 3_576 ?
Cu5A Cu5 Cu6 35.9(7) . 3_576 ?
Cu4A Cu5 Cu6 79.7(6) 3_576 3_576 ?
Cu4 Cu5 Cu6 90.51(8) 3_576 3_576 ?
Sn4 Cu5 Cu6 90.88(6) 3_576 3_576 ?
Cu5A Cu5 Cu6A 126.4(7) . . ?
Cu4A Cu5 Cu6A 67.7(8) 3_576 . ?
Cu4 Cu5 Cu6A 38.1(4) 3_576 . ?
Sn4 Cu5 Cu6A 61.5(4) 3_576 . ?
Cu6 Cu5 Cu6A 108.1(4) 3_576 . ?
Cu5A Cu5 Cu2 103.7(7) . 3_576 ?
Cu4A Cu5 Cu2 107.3(6) 3_576 3_576 ?
Cu4 Cu5 Cu2 123.84(7) 3_576 3_576 ?
Sn4 Cu5 Cu2 124.82(7) 3_576 3_576 ?
Cu6 Cu5 Cu2 122.75(7) 3_576 3_576 ?
Cu6A Cu5 Cu2 127.5(4) . 3_576 ?
Cu5A Cu5 S3 162.6(6) . 3_576 ?
Cu4A Cu5 S3 69.4(6) 3_576 3_576 ?
Cu4 Cu5 S3 68.29(6) 3_576 3_576 ?
Sn4 Cu5 S3 115.03(7) 3_576 3_576 ?
Cu6 Cu5 S3 146.90(8) 3_576 3_576 ?
Cu6A Cu5 S3 71.0(4) . 3_576 ?
Cu2 Cu5 S3 59.65(4) 3_576 3_576 ?
Cu5A Cu5 S2 68.8(6) . 3_576 ?
Cu4A Cu5 S2 80.5(7) 3_576 3_576 ?
Cu4 Cu5 S2 110.25(7) 3_576 3_576 ?
Sn4 Cu5 S2 145.78(7) 3_576 3_576 ?
Cu6 Cu5 S2 66.52(6) 3_576 3_576 ?
Cu6A Cu5 S2 148.2(4) . 3_576 ?
Cu2 Cu5 S2 59.36(4) 3_576 3_576 ?
S3 Cu5 S2 96.34(5) 3_576 3_576 ?
Cu5A Cu5 Cu6A 40.4(8) . 3_576 ?
Cu4A Cu5 Cu6A 83.9(7) 3_576 3_576 ?
Cu4 Cu5 Cu6A 84.5(3) 3_576 3_576 ?
Sn4 Cu5 Cu6A 72.1(3) 3_576 3_576 ?
Cu6 Cu5 Cu6A 20.3(3) 3_576 3_576 ?
Cu6A Cu5 Cu6A 91.9(5) . 3_576 ?
Cu2 Cu5 Cu6A 140.6(3) 3_576 3_576 ?
S3 Cu5 Cu6A 152.0(3) 3_576 3_576 ?
S2 Cu5 Cu6A 86.8(3) 3_576 3_576 ?
Cu5A Cu5 S6 77.3(7) . 3_576 ?
Cu4A Cu5 S6 164.2(6) 3_576 3_576 ?
Cu4 Cu5 S6 150.32(9) 3_576 3_576 ?
Sn4 Cu5 S6 68.69(5) 3_576 3_576 ?
Cu6 Cu5 S6 113.23(7) 3_576 3_576 ?
Cu6A Cu5 S6 114.0(4) . 3_576 ?
Cu2 Cu5 S6 58.51(4) 3_576 3_576 ?
S3 Cu5 S6 95.96(6) 3_576 3_576 ?
S2 Cu5 S6 95.97(6) 3_576 3_576 ?
Cu6A Cu5 S6 111.4(3) 3_576 3_576 ?
Cu5A Cu5 Cu6 107.0(6) . . ?
Cu4A Cu5 Cu6 75.2(7) 3_576 . ?
Cu4 Cu5 Cu6 46.58(5) 3_576 . ?
Sn4 Cu5 Cu6 48.03(4) 3_576 . ?
Cu6 Cu5 Cu6 92.77(6) 3_576 . ?
Cu6A Cu5 Cu6 19.4(4) . . ?
Cu2 Cu5 Cu6 144.45(7) 3_576 . ?
S3 Cu5 Cu6 90.38(6) 3_576 . ?
S2 Cu5 Cu6 150.64(7) 3_576 . ?
Cu6A Cu5 Cu6 74.6(3) 3_576 . ?
S6 Cu5 Cu6 111.76(6) 3_576 . ?
Cu5 Cu5A Cu6 111.4(11) . 3_576 ?
Cu5 Cu5A Cu6A 116.7(10) . 3_576 ?
Cu6 Cu5A Cu6A 29.9(5) 3_576 3_576 ?
Cu5 Cu5A Sn4 67.8(7) . 3_576 ?
Cu6 Cu5A Sn4 114.7(8) 3_576 3_576 ?
Cu6A Cu5A Sn4 88.8(6) 3_576 3_576 ?
Cu5 Cu5A Cu4A 33.9(6) . 3_576 ?
Cu6 Cu5A Cu4A 78.0(8) 3_576 3_576 ?
Cu6A Cu5A Cu4A 90.5(8) 3_576 3_576 ?
Sn4 Cu5A Cu4A 86.8(7) 3_576 3_576 ?
Cu5 Cu5A Cu4 110.2(9) . . ?
Cu6 Cu5A Cu4 66.7(5) 3_576 . ?
Cu6A Cu5A Cu4 36.8(4) 3_576 . ?
Sn4 Cu5A Cu4 55.7(3) 3_576 . ?
Cu4A Cu5A Cu4 102.8(7) 3_576 . ?
Cu5 Cu5A S2 84.9(6) . 3_576 ?
Cu6 Cu5A S2 81.5(6) 3_576 3_576 ?
Cu6A Cu5A S2 111.2(8) 3_576 3_576 ?
Sn4 Cu5A S2 151.7(7) 3_576 3_576 ?
Cu4A Cu5A S2 73.6(6) 3_576 3_576 ?
Cu4 Cu5A S2 147.9(7) . 3_576 ?
Cu5 Cu5A S6 77.6(7) . 3_576 ?
Cu6 Cu5A S6 171.0(9) 3_576 3_576 ?
Cu6A Cu5A S6 146.1(7) 3_576 3_576 ?
Sn4 Cu5A S6 67.6(4) 3_576 3_576 ?
Cu4A Cu5A S6 110.9(7) 3_576 3_576 ?
Cu4 Cu5A S6 110.6(5) . 3_576 ?
S2 Cu5A S6 100.2(5) 3_576 3_576 ?
Cu5 Cu5A Cu4 34.9(5) . 3_576 ?
Cu6 Cu5A Cu4 78.8(6) 3_576 3_576 ?
Cu6A Cu5A Cu4 82.3(6) 3_576 3_576 ?
Sn4 Cu5A Cu4 70.4(4) 3_576 3_576 ?
Cu4A Cu5A Cu4 18.3(4) 3_576 3_576 ?
Cu4 Cu5A Cu4 86.6(5) . 3_576 ?
S2 Cu5A Cu4 91.8(4) 3_576 3_576 ?
S6 Cu5A Cu4 109.9(5) 3_576 3_576 ?
Cu5 Cu5A S5 175.9(9) . . ?
Cu6 Cu5A S5 71.2(6) 3_576 . ?
Cu6A Cu5A S5 63.8(6) 3_576 . ?
Sn4 Cu5A S5 108.3(5) 3_576 . ?
Cu4A Cu5A S5 149.1(8) 3_576 . ?
Cu4 Cu5A S5 67.5(4) . . ?
S2 Cu5A S5 98.8(5) 3_576 . ?
S6 Cu5A S5 99.9(4) 3_576 . ?
Cu4 Cu5A S5 146.1(6) 3_576 . ?
Cu5 Cu5A Cu4A 94.0(8) . . ?
Cu6 Cu5A Cu4A 70.7(6) 3_576 . ?
Cu6A Cu5A Cu4A 43.2(6) 3_576 . ?
Sn4 Cu5A Cu4A 45.6(4) 3_576 . ?
Cu4A Cu5A Cu4A 88.6(6) 3_576 . ?
Cu4 Cu5A Cu4A 16.3(3) . . ?
S2 Cu5A Cu4A 149.6(7) 3_576 . ?
S6 Cu5A Cu4A 109.2(5) 3_576 . ?
Cu4 Cu5A Cu4A 71.5(4) 3_576 . ?
S5 Cu5A Cu4A 83.8(4) . . ?
Cu5 Cu5A Sn4 74.9(7) . . ?
Cu6 Cu5A Sn4 39.1(5) 3_576 . ?
Cu6A Cu5A Sn4 45.2(5) 3_576 . ?
Sn4 Cu5A Sn4 88.3(5) 3_576 . ?
Cu4A Cu5A Sn4 45.4(5) 3_576 . ?
Cu4 Cu5A Sn4 66.6(4) . . ?
S2 Cu5A Sn4 91.9(4) 3_576 . ?
S6 Cu5A Sn4 148.8(6) 3_576 . ?
Cu4 Cu5A Sn4 40.5(2) 3_576 . ?
S5 Cu5A Sn4 106.7(5) . . ?
Cu4A Cu5A Sn4 58.8(4) . . ?
Cu6A Cu6 Cu5A 113.3(9) . 3_576 ?
Cu6A Cu6 Cu4 36.0(8) . 3_576 ?
Cu5A Cu6 Cu4 77.5(5) 3_576 3_576 ?
Cu6A Cu6 Cu5 118.4(8) . 3_576 ?
Cu5A Cu6 Cu5 32.7(6) 3_576 3_576 ?
Cu4 Cu6 Cu5 86.67(7) 3_576 3_576 ?
Cu6A Cu6 Sn4 74.4(7) . 3_576 ?
Cu5A Cu6 Sn4 117.7(7) 3_576 3_576 ?
Cu4 Cu6 Sn4 88.04(7) 3_576 3_576 ?
Cu5 Cu6 Sn4 87.11(7) 3_576 3_576 ?
Cu6A Cu6 Cu4A 118.8(9) . . ?
Cu5A Cu6 Cu4A 67.2(7) 3_576 . ?
Cu4 Cu6 Cu4A 102.8(4) 3_576 . ?
Cu5 Cu6 Cu4A 34.8(4) 3_576 . ?
Sn4 Cu6 Cu4A 57.6(4) 3_576 . ?
Cu6A Cu6 Cu3 112.5(8) . 3_576 ?
Cu5A Cu6 Cu3 107.6(6) 3_576 3_576 ?
Cu4 Cu6 Cu3 129.73(7) 3_576 3_576 ?
Cu5 Cu6 Cu3 125.01(7) 3_576 3_576 ?
Sn4 Cu6 Cu3 126.66(7) 3_576 3_576 ?
Cu4A Cu6 Cu3 125.8(4) . 3_576 ?
Cu6A Cu6 S2 172.3(8) . . ?
Cu5A Cu6 S2 69.6(5) 3_576 . ?
Cu4 Cu6 S2 146.78(8) 3_576 . ?
Cu5 Cu6 S2 68.18(6) 3_576 . ?
Sn4 Cu6 S2 110.99(6) 3_576 . ?
Cu4A Cu6 S2 68.9(4) . . ?
Cu3 Cu6 S2 59.91(4) 3_576 . ?
Cu6A Cu6 S5 75.4(7) . 3_576 ?
Cu5A Cu6 S5 81.5(6) 3_576 3_576 ?
Cu4 Cu6 S5 71.63(6) 3_576 3_576 ?
Cu5 Cu6 S5 114.10(7) 3_576 3_576 ?
Sn4 Cu6 S5 148.85(7) 3_576 3_576 ?
Cu4A Cu6 S5 148.6(4) . 3_576 ?
Cu3 Cu6 S5 60.37(4) 3_576 3_576 ?
S2 Cu6 S5 98.42(6) . 3_576 ?
Cu6A Cu6 S4 80.8(8) . 3_576 ?
Cu5A Cu6 S4 165.0(6) 3_576 3_576 ?
Cu4 Cu6 S4 116.78(7) 3_576 3_576 ?
Cu5 Cu6 S4 145.16(7) 3_576 3_576 ?
Sn4 Cu6 S4 69.53(5) 3_576 3_576 ?
Cu4A Cu6 S4 111.2(4) . 3_576 ?
Cu3 Cu6 S4 60.45(5) 3_576 3_576 ?
S2 Cu6 S4 95.74(6) . 3_576 ?
S5 Cu6 S4 98.31(6) 3_576 3_576 ?
Cu6A Cu6 Cu4A 36.0(8) . 3_576 ?
Cu5A Cu6 Cu4A 83.1(6) 3_576 3_576 ?
Cu4 Cu6 Cu4A 17.7(3) 3_576 3_576 ?
Cu5 Cu6 Cu4A 82.4(3) 3_576 3_576 ?
Sn4 Cu6 Cu4A 70.8(3) 3_576 3_576 ?
Cu4A Cu6 Cu4A 89.9(4) . 3_576 ?
Cu3 Cu6 Cu4A 144.3(3) 3_576 3_576 ?
S2 Cu6 Cu4A 150.2(3) . 3_576 ?
S5 Cu6 Cu4A 88.9(3) 3_576 3_576 ?
S4 Cu6 Cu4A 111.9(3) 3_576 3_576 ?
Cu6A Cu6 Cu5 39.9(8) . . ?
Cu5A Cu6 Cu5 101.1(6) 3_576 . ?
Cu4 Cu6 Cu5 43.65(6) 3_576 . ?
Cu5 Cu6 Cu5 87.23(6) 3_576 . ?
Sn4 Cu6 Cu5 44.44(4) 3_576 . ?
Cu4A Cu6 Cu5 78.9(4) . . ?
Cu3 Cu6 Cu5 147.73(6) 3_576 . ?
S2 Cu6 Cu5 147.64(7) . . ?
S5 Cu6 Cu5 111.07(5) 3_576 . ?
S4 Cu6 Cu5 92.97(6) 3_576 . ?
Cu4A Cu6 Cu5 26.8(3) 3_576 . ?
Cu6 Cu6A Cu4 115.2(12) . 3_576 ?
Cu6 Cu6A Cu5A 36.7(6) . 3_576 ?
Cu4 Cu6A Cu5A 78.6(8) 3_576 3_576 ?
Cu6 Cu6A Cu4A 125.4(11) . 3_576 ?
Cu4 Cu6A Cu4A 27.9(5) 3_576 3_576 ?
Cu5A Cu6A Cu4A 93.8(8) 3_576 3_576 ?
Cu6 Cu6A Sn4 75.4(7) . 3_576 ?
Cu4 Cu6A Sn4 113.0(9) 3_576 3_576 ?
Cu5A Cu6A Sn4 91.9(7) 3_576 3_576 ?
Cu4A Cu6A Sn4 89.5(7) 3_576 3_576 ?
Cu6 Cu6A Cu5 120.6(10) . . ?
Cu4 Cu6A Cu5 64.5(6) 3_576 . ?
Cu5A Cu6A Cu5 108.1(8) 3_576 . ?
Cu4A Cu6A Cu5 36.8(5) 3_576 . ?
Sn4 Cu6A Cu5 56.2(4) 3_576 . ?
Cu6 Cu6A S5 81.0(8) . 3_576 ?
Cu4 Cu6A S5 83.8(6) 3_576 3_576 ?
Cu5A Cu6A S5 73.1(6) 3_576 3_576 ?
Cu4A Cu6A S5 110.7(7) 3_576 3_576 ?
Sn4 Cu6A S5 155.3(7) 3_576 3_576 ?
Cu5 Cu6A S5 146.7(6) . 3_576 ?
Cu6 Cu6A S4 76.3(7) . 3_576 ?
Cu4 Cu6A S4 168.5(9) 3_576 3_576 ?
Cu5A Cu6A S4 112.9(7) 3_576 3_576 ?
Cu4A Cu6A S4 145.3(8) 3_576 3_576 ?
Sn4 Cu6A S4 68.7(4) 3_576 3_576 ?
Cu5 Cu6A S4 110.5(6) . 3_576 ?
S5 Cu6A S4 98.6(5) 3_576 3_576 ?
Cu6 Cu6A Cu5 41.3(6) . 3_576 ?
Cu4 Cu6A Cu5 79.0(6) 3_576 3_576 ?
Cu5A Cu6A Cu5 22.9(4) 3_576 3_576 ?
Cu4A Cu6A Cu5 84.1(6) 3_576 3_576 ?
Sn4 Cu6A Cu5 71.1(4) 3_576 3_576 ?
Cu5 Cu6A Cu5 88.1(5) . 3_576 ?
S5 Cu6A Cu5 96.0(5) 3_576 3_576 ?
S4 Cu6A Cu5 111.8(5) 3_576 3_576 ?
Cu6 Cu6A S3 174.0(11) . 3_576 ?
Cu4 Cu6A S3 69.7(6) 3_576 3_576 ?
Cu5A Cu6A S3 147.7(7) 3_576 3_576 ?
Cu4A Cu6A S3 60.6(5) 3_576 3_576 ?
Sn4 Cu6A S3 106.1(6) 3_576 3_576 ?
Cu5 Cu6A S3 64.1(4) . 3_576 ?
S5 Cu6A S3 96.6(4) 3_576 3_576 ?
S4 Cu6A S3 98.7(5) 3_576 3_576 ?
Cu5 Cu6A S3 144.7(6) 3_576 3_576 ?
Cu6 Cu6A Sn4 80.4(8) . . ?
Cu4 Cu6A Sn4 38.1(4) 3_576 . ?
Cu5A Cu6A Sn4 46.8(5) 3_576 . ?
Cu4A Cu6A Sn4 47.0(5) 3_576 . ?
Sn4 Cu6A Sn4 90.5(5) 3_576 . ?
Cu5 Cu6A Sn4 68.8(4) . . ?
S5 Cu6A Sn4 93.0(4) 3_576 . ?
S4 Cu6A Sn4 151.9(5) 3_576 . ?
Cu5 Cu6A Sn4 41.1(2) 3_576 . ?
S3 Cu6A Sn4 105.3(4) 3_576 . ?
Cu6 Cu6A Cu7 78.6(7) . . ?
Cu4 Cu6A Cu7 129.8(8) 3_576 . ?
Cu5A Cu6A Cu7 104.4(6) 3_576 . ?
Cu4A Cu6A Cu7 103.5(7) 3_576 . ?
Sn4 Cu6A Cu7 19.70(16) 3_576 . ?
Cu5 Cu6A Cu7 67.3(4) . . ?
S5 Cu6A Cu7 145.8(6) 3_576 . ?
S4 Cu6A Cu7 50.0(2) 3_576 . ?
Cu5 Cu6A Cu7 86.6(4) 3_576 . ?
S3 Cu6A Cu7 100.9(5) 3_576 . ?
Sn4 Cu6A Cu7 110.2(5) . . ?
Sn4 Cu7 S4 97.95(9) 3_576 3_576 ?
Sn4 Cu7 S1 93.78(8) 3_576 3_576 ?
S4 Cu7 S1 121.14(7) 3_576 3_576 ?
Sn4 Cu7 S6 92.65(8) 3_576 3_576 ?
S4 Cu7 S6 120.49(6) 3_576 3_576 ?
S1 Cu7 S6 116.25(7) 3_576 3_576 ?
Sn4 Cu7 Cu5 33.29(6) 3_576 . ?
S4 Cu7 Cu5 100.11(6) 3_576 . ?
S1 Cu7 Cu5 118.92(7) 3_576 . ?
S6 Cu7 Cu5 62.70(5) 3_576 . ?
Sn4 Cu7 Cu4 33.32(6) 3_576 . ?
S4 Cu7 Cu4 119.59(7) 3_576 . ?
S1 Cu7 Cu4 61.23(5) 3_576 . ?
S6 Cu7 Cu4 100.21(6) 3_576 . ?
Cu5 Cu7 Cu4 59.58(5) . . ?
Sn4 Cu7 Cu6 38.54(6) 3_576 . ?
S4 Cu7 Cu6 61.39(5) 3_576 . ?
S1 Cu7 Cu6 101.78(6) 3_576 . ?
S6 Cu7 Cu6 120.50(6) 3_576 . ?
Cu5 Cu7 Cu6 59.13(5) . . ?
Cu4 Cu7 Cu6 59.80(5) . . ?
Sn4 Cu7 Cu6A 37.5(3) 3_576 . ?
S4 Cu7 Cu6A 62.4(3) 3_576 . ?
S1 Cu7 Cu6A 121.1(3) 3_576 . ?
S6 Cu7 Cu6A 100.3(3) 3_576 . ?
Cu5 Cu7 Cu6A 43.1(3) . . ?
Cu4 Cu7 Cu6A 68.4(3) . . ?
Cu6 Cu7 Cu6A 21.8(3) . . ?
Sn4 Cu7 Cu4A 35.9(3) 3_576 . ?
S4 Cu7 Cu4A 100.8(3) 3_576 . ?
S1 Cu7 Cu4A 61.5(2) 3_576 . ?
S6 Cu7 Cu4A 119.6(3) 3_576 . ?
Cu5 Cu7 Cu4A 68.6(3) . . ?
Cu4 Cu7 Cu4A 20.7(3) . . ?
Cu6 Cu7 Cu4A 45.5(3) . . ?
Cu6A Cu7 Cu4A 60.5(4) . . ?
Sn4 Cu7 Cu5A 33.8(3) 3_576 . ?
S4 Cu7 Cu5A 122.6(3) 3_576 . ?
S1 Cu7 Cu5A 97.2(3) 3_576 . ?
S6 Cu7 Cu5A 60.9(3) 3_576 . ?
Cu5 Cu7 Cu5A 23.9(3) . . ?
Cu4 Cu7 Cu5A 44.1(3) . . ?
Cu6 Cu7 Cu5A 70.8(3) . . ?
Cu6A Cu7 Cu5A 61.5(4) . . ?
Cu4A Cu7 Cu5A 60.0(4) . . ?
Cu7 S1 Sn1A 105.5(3) 3_576 . ?
Cu7 S1 Cu1 120.48(6) 3_576 . ?
Sn1A S1 Cu1 102.5(3) . . ?
Cu7 S1 Sn1 95.24(7) 3_576 . ?
Sn1A S1 Sn1 11.5(2) . . ?
Cu1 S1 Sn1 112.81(7) . . ?
Cu7 S1 Cu4 67.00(5) 3_576 3_576 ?
Sn1A S1 Cu4 96.47(15) . 3_576 ?
Cu1 S1 Cu4 58.42(4) . 3_576 ?
Sn1 S1 Cu4 97.45(6) . 3_576 ?
Cu7 S1 Sn4 24.68(4) 3_576 . ?
Sn1A S1 Sn4 101.22(19) . . ?
Cu1 S1 Sn4 98.94(5) . . ?
Sn1 S1 Sn4 94.12(5) . . ?
Cu4 S1 Sn4 42.59(4) 3_576 . ?
Cu7 S1 Cu4A 67.9(3) 3_576 3_576 ?
Sn1A S1 Cu4A 75.5(4) . 3_576 ?
Cu1 S1 Cu4A 70.0(3) . 3_576 ?
Sn1 S1 Cu4A 75.7(4) . 3_576 ?
Cu4 S1 Cu4A 21.8(3) 3_576 3_576 ?
Sn4 S1 Cu4A 44.5(3) . 3_576 ?
Cu7 S1 Sn1B 99.7(3) 3_576 . ?
Sn1A S1 Sn1B 8.3(3) . . ?
Cu1 S1 Sn1B 100.9(5) . . ?
Sn1 S1 Sn1B 12.2(5) . . ?
Cu4 S1 Sn1B 88.7(4) 3_576 . ?
Sn4 S1 Sn1B 93.5(3) . . ?
Cu4A S1 Sn1B 67.5(5) 3_576 . ?
Sn1B S2 Cu5A 125.2(6) 3_576 3_576 ?
Sn1B S2 Sn1 14.8(7) 3_576 3_576 ?
Cu5A S2 Sn1 118.3(3) 3_576 3_576 ?
Sn1B S2 Cu2 101.7(6) 3_576 . ?
Cu5A S2 Cu2 73.2(3) 3_576 . ?
Sn1 S2 Cu2 113.49(7) 3_576 . ?
Sn1B S2 Cu3 116.2(7) 3_576 3_576 ?
Cu5A S2 Cu3 76.8(3) 3_576 3_576 ?
Sn1 S2 Cu3 102.72(7) 3_576 3_576 ?
Cu2 S2 Cu3 140.75(5) . 3_576 ?
Sn1B S2 Cu6 111.1(7) 3_576 . ?
Cu5A S2 Cu6 28.9(3) 3_576 . ?
Sn1 S2 Cu6 99.12(6) 3_576 . ?
Cu2 S2 Cu6 100.56(6) . . ?
Cu3 S2 Cu6 57.66(4) 3_576 . ?
Sn1B S2 Cu5 105.0(4) 3_576 3_576 ?
Cu5A S2 Cu5 26.3(3) 3_576 3_576 ?
Sn1 S2 Cu5 103.18(6) 3_576 3_576 ?
Cu2 S2 Cu5 57.27(4) . 3_576 ?
Cu3 S2 Cu5 101.06(5) 3_576 3_576 ?
Cu6 S2 Cu5 45.30(5) . 3_576 ?
Sn1B S2 Sn1A 10.3(6) 3_576 3_576 ?
Cu5A S2 Sn1A 115.3(4) 3_576 3_576 ?
Sn1 S2 Sn1A 11.17(19) 3_576 3_576 ?
Cu2 S2 Sn1A 102.4(2) . 3_576 ?
Cu3 S2 Sn1A 113.1(2) 3_576 3_576 ?
Cu6 S2 Sn1A 100.97(13) . 3_576 ?
Cu5 S2 Sn1A 96.54(18) 3_576 3_576 ?
Sn1B S2 Cu4A 79.7(5) 3_576 . ?
Cu5A S2 Cu4A 46.3(4) 3_576 . ?
Sn1 S2 Cu4A 76.2(3) 3_576 . ?
Cu2 S2 Cu4A 72.1(3) . . ?
Cu3 S2 Cu4A 103.9(3) 3_576 . ?
Cu6 S2 Cu4A 48.2(3) . . ?
Cu5 S2 Cu4A 27.2(3) 3_576 . ?
Sn1A S2 Cu4A 70.4(3) 3_576 . ?
Cu4A S3 Cu2 76.8(4) . . ?
Cu4A S3 Sn2 116.2(3) . . ?
Cu2 S3 Sn2 113.35(5) . . ?
Cu4A S3 Cu1 73.9(4) . 3_576 ?
Cu2 S3 Cu1 142.25(6) . 3_576 ?
Sn2 S3 Cu1 100.79(5) . 3_576 ?
Cu4A S3 Cu4 22.9(4) . . ?
Cu2 S3 Cu4 98.02(6) . . ?
Sn2 S3 Cu4 99.90(5) . . ?
Cu1 S3 Cu4 59.17(4) 3_576 . ?
Cu4A S3 Cu5 28.7(3) . 3_576 ?
Cu2 S3 Cu5 57.72(4) . 3_576 ?
Sn2 S3 Cu5 101.94(5) . 3_576 ?
Cu1 S3 Cu5 100.92(5) 3_576 3_576 ?
Cu4 S3 Cu5 42.71(5) . 3_576 ?
Cu4A S3 Cu6A 43.8(5) . 3_576 ?
Cu2 S3 Cu6A 100.8(3) . 3_576 ?
Sn2 S3 Cu6A 73.3(3) . 3_576 ?
Cu1 S3 Cu6A 73.3(3) 3_576 3_576 ?
Cu4 S3 Cu6A 27.9(3) . 3_576 ?
Cu5 S3 Cu6A 44.9(3) 3_576 3_576 ?
Cu7 S4 Sn2 105.91(6) 3_576 . ?
Cu7 S4 Cu3 119.29(7) 3_576 . ?
Sn2 S4 Cu3 102.40(5) . . ?
Cu7 S4 Cu6 68.17(6) 3_576 3_576 ?
Sn2 S4 Cu6 95.16(5) . 3_576 ?
Cu3 S4 Cu6 56.65(4) . 3_576 ?
Cu7 S4 Cu6A 67.7(3) 3_576 3_576 ?
Sn2 S4 Cu6A 73.8(3) . 3_576 ?
Cu3 S4 Cu6A 70.6(3) . 3_576 ?
Cu6 S4 Cu6A 22.9(3) 3_576 3_576 ?
Cu7 S4 Sn4 24.22(4) 3_576 . ?
Sn2 S4 Sn4 99.12(4) . . ?
Cu3 S4 Sn4 99.44(5) . . ?
Cu6 S4 Sn4 44.71(4) 3_576 . ?
Cu6A S4 Sn4 44.1(3) 3_576 . ?
Sn3 S5 Cu1 103.15(5) 3_576 3_576 ?
Sn3 S5 Cu6A 114.6(3) 3_576 3_576 ?
Cu1 S5 Cu6A 76.3(3) 3_576 3_576 ?
Sn3 S5 Cu3 111.20(4) 3_576 . ?
Cu1 S5 Cu3 140.94(6) 3_576 . ?
Cu6A S5 Cu3 72.9(3) 3_576 . ?
Sn3 S5 Cu6 101.99(5) 3_576 3_576 ?
Cu1 S5 Cu6 98.51(5) 3_576 3_576 ?
Cu6A S5 Cu6 23.6(3) 3_576 3_576 ?
Cu3 S5 Cu6 57.21(4) . 3_576 ?
Sn3 S5 Cu5A 74.9(3) 3_576 . ?
Cu1 S5 Cu5A 100.9(3) 3_576 . ?
Cu6A S5 Cu5A 43.1(4) 3_576 . ?
Cu3 S5 Cu5A 71.8(3) . . ?
Cu6 S5 Cu5A 27.4(3) 3_576 . ?
Sn3 S5 Cu4 97.20(5) 3_576 . ?
Cu1 S5 Cu4 57.18(4) 3_576 . ?
Cu6A S5 Cu4 28.0(3) 3_576 . ?
Cu3 S5 Cu4 99.53(5) . . ?
Cu6 S5 Cu4 43.55(4) 3_576 . ?
Cu5A S5 Cu4 45.5(3) . . ?
Cu7 S6 Cu2 116.91(6) 3_576 . ?
Cu7 S6 Sn3 99.70(5) 3_576 . ?
Cu2 S6 Sn3 112.51(5) . . ?
Cu7 S6 Sn4 24.79(3) 3_576 . ?
Cu2 S6 Sn4 97.01(5) . . ?
Sn3 S6 Sn4 95.50(4) . . ?
Cu7 S6 Cu5A 68.4(3) 3_576 3_576 ?
Cu2 S6 Cu5A 69.5(3) . 3_576 ?
Sn3 S6 Cu5A 75.5(3) . 3_576 ?
Sn4 S6 Cu5A 44.3(3) . 3_576 ?
Cu7 S6 Cu5 65.52(5) 3_576 3_576 ?
Cu2 S6 Cu5 56.50(4) . 3_576 ?
Sn3 S6 Cu5 100.47(5) . 3_576 ?
Sn4 S6 Cu5 41.87(3) . 3_576 ?
Cu5A S6 Cu5 25.1(3) 3_576 3_576 ?
C13 P1 C25 101.1(2) . . ?
C13 P1 C19 103.6(3) . . ?
C25 P1 C19 104.8(2) . . ?
C13 P1 Cu1 119.28(18) . . ?
C25 P1 Cu1 110.56(15) . . ?
C19 P1 Cu1 115.69(16) . . ?
C31 P2 C43 103.8(3) . . ?
C31 P2 C37 105.7(3) . . ?
C43 P2 C37 101.5(2) . . ?
C31 P2 Cu2 112.87(19) . . ?
C43 P2 Cu2 114.78(19) . . ?
C37 P2 Cu2 116.76(19) . . ?
C61 P3 C49 102.8(3) . . ?
C61 P3 C55 102.6(2) . . ?
C49 P3 C55 101.6(2) . . ?
C61 P3 Cu3 114.24(19) . . ?
C49 P3 Cu3 117.85(19) . . ?
C55 P3 Cu3 115.61(19) . . ?
C2 C1 Sn1 102.2(4) . . ?
C2 C1 Sn1A 94.7(4) . . ?
Sn1 C1 Sn1A 8.21(15) . . ?
C2 C1 Sn1B 100.0(5) . . ?
Sn1 C1 Sn1B 10.0(4) . . ?
Sn1A C1 Sn1B 14.2(4) . . ?
C2 C1 H1A 111.3 . . ?
Sn1 C1 H1A 111.3 . . ?
Sn1A C1 H1A 111.8 . . ?
Sn1B C1 H1A 120.8 . . ?
C2 C1 H1B 111.3 . . ?
Sn1 C1 H1B 111.3 . . ?
Sn1A C1 H1B 117.8 . . ?
Sn1B C1 H1B 103.6 . . ?
H1A C1 H1B 109.2 . . ?
C3 C2 C1 111.6(6) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 C4 111.4(5) . . ?
C2 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 Sn1A 115.0(5) . . ?
C3 C4 Sn1B 116.5(7) . . ?
Sn1A C4 Sn1B 18.7(7) . . ?
C3 C4 Sn1 103.8(4) . . ?
Sn1A C4 Sn1 13.1(3) . . ?
Sn1B C4 Sn1 17.9(8) . . ?
C3 C4 H4A 111.0 . . ?
Sn1A C4 H4A 110.6 . . ?
Sn1B C4 H4A 93.9 . . ?
Sn1 C4 H4A 111.0 . . ?
C3 C4 H4B 111.0 . . ?
Sn1A C4 H4B 99.6 . . ?
Sn1B C4 H4B 114.1 . . ?
Sn1 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
C6 C5 Sn2 101.0(4) . . ?
C6 C5 H5A 111.6 . . ?
Sn2 C5 H5A 111.6 . . ?
C6 C5 H5B 111.6 . . ?
Sn2 C5 H5B 111.6 . . ?
H5A C5 H5B 109.4 . . ?
C7 C6 C5 112.5(5) . . ?
C7 C6 H6A 109.1 . . ?
C5 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
C5 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
C6 C7 C8 114.0(5) . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
C6 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C7 C8 Sn2 103.1(4) . . ?
C7 C8 H8A 111.2 . . ?
Sn2 C8 H8A 111.2 . . ?
C7 C8 H8B 111.2 . . ?
Sn2 C8 H8B 111.2 . . ?
H8A C8 H8B 109.1 . . ?
C10 C9 Sn3 101.8(3) . . ?
C10 C9 H9A 111.4 . . ?
Sn3 C9 H9A 111.4 . . ?
C10 C9 H9B 111.4 . . ?
Sn3 C9 H9B 111.4 . . ?
H9A C9 H9B 109.3 . . ?
C11 C10 C9 113.7(5) . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C10 C11 C12 112.5(5) . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 Sn3 103.2(3) . . ?
C11 C12 H12A 111.1 . . ?
Sn3 C12 H12A 111.1 . . ?
C11 C12 H12B 111.1 . . ?
Sn3 C12 H12B 111.1 . . ?
H12A C12 H12B 109.1 . . ?
C14 C13 C18 119.0(6) . . ?
C14 C13 P1 120.7(4) . . ?
C18 C13 P1 120.3(5) . . ?
C13 C14 C15 118.8(6) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C16 C15 C14 118.6(6) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C17 C16 C15 123.3(7) . . ?
C17 C16 H16 118.4 . . ?
C15 C16 H16 118.4 . . ?
C16 C17 C18 117.4(7) . . ?
C16 C17 H17 121.3 . . ?
C18 C17 H17 121.3 . . ?
C17 C18 C13 122.5(7) . . ?
C17 C18 H18 118.7 . . ?
C13 C18 H18 118.7 . . ?
C20 C19 C24 118.4(5) . . ?
C20 C19 P1 123.4(5) . . ?
C24 C19 P1 118.0(4) . . ?
C19 C20 C21 119.0(6) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 120.9(7) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 120.7(6) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 118.8(6) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C23 C24 C19 122.2(6) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?
C26 C25 C30 117.7(4) . . ?
C26 C25 P1 125.5(4) . . ?
C30 C25 P1 116.7(4) . . ?
C27 C26 C25 120.4(5) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 C26 120.8(5) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.3(5) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C30 C29 C28 120.1(5) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 121.5(5) . . ?
C29 C30 H30 119.3 . . ?
C25 C30 H30 119.3 . . ?
C32 C31 C36 117.3(6) . . ?
C32 C31 P2 119.4(5) . . ?
C36 C31 P2 122.6(5) . . ?
C31 C32 C33 123.2(7) . . ?
C31 C32 H32 118.4 . . ?
C33 C32 H32 118.4 . . ?
C34 C33 C32 119.8(8) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C35 118.9(7) . . ?
C33 C34 H34 120.6 . . ?
C35 C34 H34 120.6 . . ?
C34 C35 C36 120.4(7) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.9(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C42 118.8(5) . . ?
C38 C37 P2 124.7(4) . . ?
C42 C37 P2 116.6(4) . . ?
C37 C38 C39 120.5(6) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 121.1(6) . . ?
C40 C39 H39 119.4 . . ?
C38 C39 H39 119.4 . . ?
C39 C40 C41 118.7(5) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
C40 C41 C42 120.1(6) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C37 C42 C41 120.5(6) . . ?
C37 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C48 118.7(6) . . ?
C44 C43 P2 123.8(4) . . ?
C48 C43 P2 117.4(4) . . ?
C43 C44 C45 120.4(5) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 119.7(5) . . ?
C46 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
C47 C46 C45 120.6(6) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C46 C47 C48 119.8(6) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C47 C48 C43 120.7(5) . . ?
C47 C48 H48 119.7 . . ?
C43 C48 H48 119.7 . . ?
C54 C49 C50 117.2(6) . . ?
C54 C49 P3 124.0(4) . . ?
C50 C49 P3 118.8(5) . . ?
C49 C50 C51 119.5(8) . . ?
C49 C50 H50 120.2 . . ?
C51 C50 H50 120.2 . . ?
C52 C51 C50 121.9(7) . . ?
C52 C51 H51 119.1 . . ?
C50 C51 H51 119.1 . . ?
C53 C52 C51 119.2(7) . . ?
C53 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C52 C53 C54 119.0(8) . . ?
C52 C53 H53 120.5 . . ?
C54 C53 H53 120.5 . . ?
C49 C54 C53 123.0(7) . . ?
C49 C54 H54 118.5 . . ?
C53 C54 H54 118.5 . . ?
C60 C55 C56 119.1(5) . . ?
C60 C55 P3 124.1(4) . . ?
C56 C55 P3 116.8(4) . . ?
C55 C56 C57 120.4(6) . . ?
C55 C56 H56 119.8 . . ?
C57 C56 H56 119.8 . . ?
C58 C57 C56 119.4(6) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C57 C58 C59 120.5(5) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C58 C59 C60 120.5(6) . . ?
C58 C59 H59 119.7 . . ?
C60 C59 H59 119.7 . . ?
C55 C60 C59 120.0(6) . . ?
C55 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C62 C61 C66 118.1(6) . . ?
C62 C61 P3 124.3(5) . . ?
C66 C61 P3 117.6(4) . . ?
C61 C62 C63 121.0(6) . . ?
C61 C62 H62 119.5 . . ?
C63 C62 H62 119.5 . . ?
C64 C63 C62 120.6(6) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C65 C64 C63 119.0(7) . . ?
C65 C64 H64 120.5 . . ?
C63 C64 H64 120.5 . . ?
C64 C65 C66 120.8(6) . . ?
C64 C65 H65 119.6 . . ?
C66 C65 H65 119.6 . . ?
C65 C66 C61 120.4(6) . . ?
C65 C66 H66 119.8 . . ?
C61 C66 H66 119.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C1 2.126(6) . ?
Sn1 C4 2.157(5) . ?
Sn1 S2 2.3734(16) 3_576 ?
Sn1 S1 2.4380(18) . ?
Sn1 Cu4A 3.049(13) 3_576 ?
Sn1A C4 1.973(7) . ?
Sn1A S1 2.258(6) . ?
Sn1A C1 2.507(11) . ?
Sn1A S2 2.535(7) 3_576 ?
Sn1A Cu4A 2.940(14) 3_576 ?
Sn1B S2 2.026(17) 3_576 ?
Sn1B C4 2.029(13) . ?
Sn1B C1 2.65(3) . ?
Sn1B S1 2.80(2) . ?
Sn1B Cu4A 2.969(18) 3_576 ?
Sn2 C8 2.154(5) . ?
Sn2 C5 2.159(5) . ?
Sn2 S3 2.3855(13) . ?
Sn2 S4 2.4083(11) . ?
Sn2 Cu6A 2.963(13) 3_576 ?
Sn3 C12 2.167(5) . ?
Sn3 C9 2.172(5) . ?
Sn3 S5 2.3978(13) 3_576 ?
Sn3 S6 2.4065(13) . ?
Sn3 Cu5A 3.022(13) 3_576 ?
Sn4 Cu7 1.0571(13) 3_576 ?
Sn4 Cu5 1.8046(12) 3_576 ?
Sn4 Cu4 1.8201(14) 3_576 ?
Sn4 Cu5A 1.905(13) 3_576 ?
Sn4 Cu6A 1.907(12) 3_576 ?
Sn4 Cu4A 1.914(13) 3_576 ?
Sn4 Cu6 1.9163(14) 3_576 ?
Sn4 S6 2.5188(14) . ?
Sn4 S1 2.5264(12) . ?
Sn4 S4 2.5521(15) . ?
Sn4 Cu6A 2.614(13) . ?
Sn4 Cu5 2.6261(14) . ?
Cu1 P1 2.2244(13) . ?
Cu1 Cu4 2.3883(12) 3_576 ?
Cu1 S3 2.4021(14) 3_576 ?
Cu1 S5 2.4046(12) 3_576 ?
Cu1 S1 2.4085(15) . ?
Cu1 Cu4A 2.835(14) 3_576 ?
Cu1 Cu6A 2.972(12) . ?
Cu2 P2 2.2067(16) . ?
Cu2 Cu5 2.3291(13) 3_576 ?
Cu2 S3 2.3773(14) . ?
Cu2 S6 2.3817(12) . ?
Cu2 S2 2.3822(15) . ?
Cu2 Cu5A 2.802(12) 3_576 ?
Cu2 Cu4A 2.913(14) . ?
Cu3 P3 2.2210(17) . ?
Cu3 Cu6 2.3304(15) 3_576 ?
Cu3 S2 2.3867(14) 3_576 ?
Cu3 S5 2.4096(12) . ?
Cu3 S4 2.4270(15) . ?
Cu3 Cu6A 2.863(13) 3_576 ?
Cu3 Cu5A 2.922(14) . ?
Cu4 Cu4A 0.951(15) . ?
Cu4 Cu6A 1.215(13) 3_576 ?
Cu4 Cu5 1.7775(18) 3_576 ?
Cu4 Sn4 1.8201(14) 3_576 ?
Cu4 Cu6 1.8705(16) 3_576 ?
Cu4 Cu5A 1.989(12) . ?
Cu4 Cu1 2.3883(12) 3_576 ?
Cu4 S3 2.4349(17) . ?
Cu4 S1 2.4840(16) 3_576 ?
Cu4 Cu5A 2.565(13) 3_576 ?
Cu4 S5 2.5766(19) . ?
Cu4 Cu5 2.5839(15) . ?
Cu4A Cu5 1.188(13) 3_576 ?
Cu4A Cu6A 1.836(19) 3_576 ?
Cu4A Sn4 1.914(13) 3_576 ?
Cu4A Cu5A 1.930(18) 3_576 ?
Cu4A Cu6 2.048(13) . ?
Cu4A S3 2.312(13) . ?
Cu4A S1 2.530(13) 3_576 ?
Cu4A Cu6 2.546(14) 3_576 ?
Cu4A S2 2.563(16) . ?
Cu4A Cu7 2.667(14) . ?
Cu5 Cu5A 1.100(13) . ?
Cu5 Cu4A 1.188(13) 3_576 ?
Cu5 Cu4 1.7775(18) 3_576 ?
Cu5 Sn4 1.8046(12) 3_576 ?
Cu5 Cu6 1.8948(18) 3_576 ?
Cu5 Cu6A 1.921(14) . ?
Cu5 Cu2 2.3291(13) 3_576 ?
Cu5 S3 2.4466(16) 3_576 ?
Cu5 S2 2.4750(17) 3_576 ?
Cu5 Cu6A 2.525(13) 3_576 ?
Cu5 S6 2.5314(17) 3_576 ?
Cu5 Cu6 2.5753(17) . ?
Cu5A Cu6 1.193(14) 3_576 ?
Cu5A Cu6A 1.832(19) 3_576 ?
Cu5A Sn4 1.905(13) 3_576 ?
Cu5A Cu4A 1.930(18) 3_576 ?
Cu5A S2 2.317(11) 3_576 ?
Cu5A S6 2.529(14) 3_576 ?
Cu5A Cu4 2.565(13) 3_576 ?
Cu5A S5 2.567(13) . ?
Cu6 Cu6A 0.995(12) . ?
Cu6 Cu5A 1.193(14) 3_576 ?
Cu6 Cu4 1.8705(16) 3_576 ?
Cu6 Cu5 1.8948(18) 3_576 ?
Cu6 Sn4 1.9163(14) 3_576 ?
Cu6 Cu3 2.3304(15) 3_576 ?
Cu6 S2 2.4452(16) . ?
Cu6 S5 2.4570(17) 3_576 ?
Cu6 S4 2.4839(18) 3_576 ?
Cu6 Cu4A 2.546(14) 3_576 ?
Cu6A Cu4 1.215(13) 3_576 ?
Cu6A Cu5A 1.832(19) 3_576 ?
Cu6A Cu4A 1.836(19) 3_576 ?
Cu6A Sn4 1.907(12) 3_576 ?
Cu6A S5 2.407(13) 3_576 ?
Cu6A S4 2.524(13) 3_576 ?
Cu6A Cu5 2.525(13) 3_576 ?
Cu6A S3 2.573(13) 3_576 ?
Cu6A Cu7 2.634(12) . ?
Cu7 Sn4 1.0571(13) 3_576 ?
Cu7 S4 2.1813(18) 3_576 ?
Cu7 S1 2.2260(15) 3_576 ?
Cu7 S6 2.2380(16) 3_576 ?
S1 Cu7 2.2260(15) 3_576 ?
S1 Cu4 2.4840(16) 3_576 ?
S1 Cu4A 2.530(13) 3_576 ?
S2 Sn1B 2.026(17) 3_576 ?
S2 Cu5A 2.317(11) 3_576 ?
S2 Sn1 2.3734(16) 3_576 ?
S2 Cu3 2.3867(14) 3_576 ?
S2 Cu5 2.4750(17) 3_576 ?
S2 Sn1A 2.535(7) 3_576 ?
S3 Cu1 2.4021(14) 3_576 ?
S3 Cu5 2.4466(16) 3_576 ?
S3 Cu6A 2.573(13) 3_576 ?
S4 Cu7 2.1813(18) 3_576 ?
S4 Cu6 2.4839(18) 3_576 ?
S4 Cu6A 2.524(13) 3_576 ?
S5 Sn3 2.3978(13) 3_576 ?
S5 Cu1 2.4046(12) 3_576 ?
S5 Cu6A 2.407(13) 3_576 ?
S5 Cu6 2.4570(17) 3_576 ?
S6 Cu7 2.2380(16) 3_576 ?
S6 Cu5A 2.529(14) 3_576 ?
S6 Cu5 2.5314(17) 3_576 ?
P1 C13 1.823(6) . ?
P1 C25 1.827(5) . ?
P1 C19 1.837(5) . ?
P2 C31 1.806(6) . ?
P2 C43 1.824(6) . ?
P2 C37 1.833(5) . ?
P3 C61 1.816(6) . ?
P3 C49 1.832(6) . ?
P3 C55 1.832(5) . ?
C1 C2 1.525(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.512(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.550(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.531(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.510(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.534(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.553(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.490(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.507(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.357(8) . ?
C13 C18 1.410(8) . ?
C14 C15 1.426(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.340(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.361(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.367(8) . ?
C19 C24 1.387(7) . ?
C20 C21 1.419(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.337(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.368(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.394(6) . ?
C25 C30 1.402(7) . ?
C26 C27 1.386(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.384(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.379(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.376(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.344(10) . ?
C31 C36 1.376(8) . ?
C32 C33 1.387(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.345(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.411(9) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.348(8) . ?
C37 C42 1.374(8) . ?
C38 C39 1.395(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.352(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.369(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.395(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.377(7) . ?
C43 C48 1.396(8) . ?
C44 C45 1.383(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.381(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.362(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.374(8) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.350(9) . ?
C49 C50 1.362(7) . ?
C50 C51 1.373(11) . ?
C50 H50 0.9500 . ?
C51 C52 1.352(12) . ?
C51 H51 0.9500 . ?
C52 C53 1.331(10) . ?
C52 H52 0.9500 . ?
C53 C54 1.377(9) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.385(8) . ?
C55 C56 1.392(8) . ?
C56 C57 1.403(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.371(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.373(9) . ?
C58 H58 0.9500 . ?
C59 C60 1.391(7) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.361(8) . ?
C61 C66 1.395(8) . ?
C62 C63 1.381(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.367(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.361(9) . ?
C64 H64 0.9500 . ?
C65 C66 1.376(8) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
