#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/52/4115232.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_4115232
loop_
_publ_author_name
'Xianhui Bu'
'Nanfeng Zheng'
'Yuqi Li'
'Pingyun Feng'
_publ_section_title
;
 Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two-
 and Three-Dimensional Photoluminescent Open Frameworks from
 (Cu5In30S54)13- Clusters
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12646
_journal_page_last               12647
_journal_paper_doi               10.1021/ja021009z
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C84.5 H182 Cu5 In30 N13 S54'
_chemical_formula_weight         6873.97
_chemical_name_common            UCR-17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   43.266(6)
_cell_length_b                   43.467(6)
_cell_length_c                   53.721(7)
_cell_measurement_temperature    223(2)
_cell_volume                     101030(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0815
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_number            94923
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    3.561
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_F_000             52144
_refine_diff_density_max         1.985
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.577
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         16496
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.577
_refine_ls_R_factor_all          0.1539
_refine_ls_R_factor_gt           0.0735
_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)+(0.1187P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2776
_refine_ls_wR_factor_ref         0.3123
_reflns_number_gt                8812
_reflns_number_total             16496
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja021009z_2.cif
_cod_data_source_block           UCR17
_cod_original_cell_volume        101030(23)
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'C84.50 H182 Cu5 In30 N13 S54'
_cod_database_code               4115232
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'
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
Cu40 Cu -0.3750 0.6250 0.33405(5) 0.0440(8) Uani 1 2 d S
In41 In -0.38654(4) 0.71322(3) 0.33370(3) 0.0473(7) Uani 0.65(2) 1 d P
Cu41 Cu -0.38654(4) 0.71322(3) 0.33370(3) 0.0473(7) Uani 0.35(3) 1 d P
In42 In -0.42454(4) 0.66347(3) 0.38528(3) 0.0488(7) Uani 0.71(2) 1 d P
Cu42 Cu -0.42454(4) 0.66347(3) 0.38528(3) 0.0488(7) Uani 0.28(3) 1 d P
In43 In -0.33530(4) 0.67474(3) 0.38509(3) 0.0492(7) Uani 0.71(2) 1 d P
Cu43 Cu -0.33530(4) 0.67474(3) 0.38509(3) 0.0492(7) Uani 0.28(3) 1 d P
In44 In -0.33682(3) 0.67472(3) 0.28273(3) 0.0485(6) Uani 0.88(2) 1 d P
Cu44 Cu -0.33682(3) 0.67472(3) 0.28273(3) 0.0485(6) Uani 0.12(3) 1 d P
In45 In -0.28625(4) 0.63624(3) 0.33413(3) 0.0495(7) Uani 0.67(2) 1 d P
Cu45 Cu -0.28625(4) 0.63624(3) 0.33413(3) 0.0495(7) Uani 0.33(3) 1 d P
In46 In -0.32465(4) 0.58588(4) 0.28308(3) 0.0502(8) Uani 0.49(2) 1 d P
Cu46 Cu -0.32465(4) 0.58588(4) 0.28308(3) 0.0502(8) Uani 0.51(3) 1 d P
In31 In -0.43749(3) 0.75370(3) 0.38566(3) 0.0548(4) Uani 1 1 d .
In32 In -0.47606(3) 0.70413(3) 0.33381(2) 0.0499(4) Uani 1 1 d .
In33 In -0.29545(3) 0.72664(3) 0.33393(3) 0.0542(4) Uani 1 1 d .
In34 In -0.24482(3) 0.68745(3) 0.28349(3) 0.0594(5) Uani 1 1 d .
In35 In -0.23415(3) 0.59574(3) 0.28271(3) 0.0573(4) Uani 1 1 d .
In36 In -0.34535(3) 0.76521(3) 0.38536(3) 0.0573(4) Uani 1 1 d .
In37 In -0.38510(3) 0.71393(3) 0.43870(2) 0.0562(4) Uani 1 1 d .
In38 In -0.3750 0.6250 0.43841(3) 0.0521(5) Uani 1 2 d S
In39 In -0.3750 0.6250 0.22932(3) 0.0576(6) Uani 1 2 d S
In30 In -0.28532(3) 0.63526(3) 0.22963(3) 0.0615(5) Uani 1 1 d .
In21 In -0.39630(4) 0.80287(3) 0.43626(3) 0.0627(5) Uani 1 1 d .
In22 In -0.19654(4) 0.64739(3) 0.23215(3) 0.0625(5) Uani 1 1 d .
S401 S -0.37985(11) 0.66852(10) 0.35901(9) 0.0456(12) Uani 1 1 d .
S402 S -0.33149(11) 0.62942(10) 0.30917(9) 0.0497(13) Uani 1 1 d .
S301 S -0.42212(11) 0.61913(11) 0.41216(9) 0.0492(12) Uani 1 1 d .
S302 S -0.43071(11) 0.71073(10) 0.30653(9) 0.0477(12) Uani 1 1 d .
S303 S -0.28875(11) 0.68069(10) 0.36109(9) 0.0487(12) Uani 1 1 d .
S304 S -0.33799(12) 0.71913(11) 0.41238(9) 0.0521(13) Uani 1 1 d .
S305 S -0.43242(12) 0.70744(10) 0.41286(9) 0.0504(13) Uani 1 1 d .
S306 S -0.39147(11) 0.75987(10) 0.35839(9) 0.0510(13) Uani 1 1 d .
S307 S -0.28039(12) 0.58911(11) 0.25624(9) 0.0537(13) Uani 1 1 d .
S308 S -0.47095(11) 0.65769(10) 0.36072(9) 0.0498(13) Uani 1 1 d .
S309 S -0.34208(11) 0.72206(10) 0.30718(8) 0.0483(12) Uani 1 1 d .
S310 S -0.38163(11) 0.67176(10) 0.25567(9) 0.0486(12) Uani 1 1 d .
S311 S -0.23856(11) 0.64146(11) 0.31076(9) 0.0536(13) Uani 1 1 d .
S312 S -0.29153(12) 0.68240(11) 0.25625(9) 0.0542(13) Uani 1 1 d .
S201 S -0.32973(13) 0.62995(14) 0.20278(10) 0.0726(17) Uani 1 1 d .
S202 S -0.52278(12) 0.69933(12) 0.30888(9) 0.0591(14) Uani 1 1 d .
S203 S -0.30037(13) 0.77259(11) 0.35943(10) 0.0615(15) Uani 1 1 d .
S204 S -0.38027(14) 0.66952(11) 0.46548(9) 0.0646(15) Uani 1 1 d .
S205 S -0.48405(12) 0.74786(12) 0.36149(10) 0.0617(15) Uani 1 1 d .
S206 S -0.18872(13) 0.60052(12) 0.25702(10) 0.0655(15) Uani 1 1 d .
S207 S -0.24986(13) 0.73358(12) 0.30842(11) 0.0684(16) Uani 1 1 d .
S209 S -0.44357(14) 0.79904(12) 0.41114(10) 0.0685(16) Uani 1 1 d .
S210 S -0.35007(14) 0.81097(12) 0.41049(10) 0.0712(17) Uani 1 1 d .
S211 S -0.39714(13) 0.85024(12) 0.46025(10) 0.0655(15) Uani 1 1 d .
S212 S -0.39143(14) 0.75886(12) 0.46467(10) 0.0679(16) Uani 1 1 d .
S213 S -0.20007(13) 0.69477(12) 0.25739(10) 0.0688(16) Uani 1 1 d .
S214 S -0.24053(13) 0.64490(16) 0.20380(10) 0.0815(19) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 '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
S402 Cu40 S402 109.5(3) 14_355 .
S402 Cu40 S401 109.05(16) 14_355 .
S402 Cu40 S401 109.76(16) . .
S402 Cu40 S401 109.76(16) 14_355 14_355
S402 Cu40 S401 109.05(16) . 14_355
S401 Cu40 S401 109.7(3) . 14_355
S401 In41 S302 113.88(16) . .
S401 In41 S309 111.55(16) . .
S302 In41 S309 106.29(17) . .
S401 In41 S306 112.23(17) . .
S302 In41 S306 107.37(17) . .
S309 In41 S306 104.94(16) . .
S401 In42 S301 112.93(16) . .
S401 In42 S308 110.94(17) . .
S301 In42 S308 106.27(16) . .
S401 In42 S305 113.39(16) . .
S301 In42 S305 105.57(16) . .
S308 In42 S305 107.27(17) . .
S401 In43 S303 111.84(17) . .
S401 In43 S301 111.65(16) . 14_355
S303 In43 S301 107.20(17) . 14_355
S401 In43 S304 113.83(17) . .
S303 In43 S304 106.17(17) . .
S301 In43 S304 105.67(17) 14_355 .
S310 In44 S402 112.43(16) . .
S310 In44 S312 107.40(17) . .
S402 In44 S312 111.93(16) . .
S310 In44 S309 106.94(16) . .
S402 In44 S309 111.98(17) . .
S312 In44 S309 105.76(17) . .
S402 In45 S308 109.91(17) . 14_355
S402 In45 S303 113.49(17) . .
S308 In45 S303 106.53(17) 14_355 .
S402 In45 S311 114.69(18) . .
S308 In45 S311 105.74(17) 14_355 .
S303 In45 S311 105.87(17) . .
S402 In46 S302 112.06(17) . 14_355
S402 In46 S307 114.04(17) . .
S302 In46 S307 106.73(17) 14_355 .
S402 In46 S310 111.80(17) . 14_355
S302 In46 S310 106.23(17) 14_355 14_355
S307 In46 S310 105.42(17) . 14_355
S205 In31 S209 107.49(18) . .
S205 In31 S306 111.29(18) . .
S209 In31 S306 109.47(18) . .
S205 In31 S305 107.71(18) . .
S209 In31 S305 109.59(18) . .
S306 In31 S305 111.20(16) . .
S202 In32 S205 106.55(17) . .
S202 In32 S302 110.11(17) . .
S205 In32 S302 112.62(18) . .
S202 In32 S308 108.87(18) . .
S205 In32 S308 106.87(17) . .
S302 In32 S308 111.61(16) . .
S207 In33 S203 106.73(18) . .
S207 In33 S309 110.14(19) . .
S203 In33 S309 108.69(18) . .
S207 In33 S303 109.68(18) . .
S203 In33 S303 109.81(18) . .
S309 In33 S303 111.66(16) . .
S213 In34 S207 106.54(19) . .
S213 In34 S311 111.12(18) . .
S207 In34 S311 110.41(18) . .
S213 In34 S312 108.63(19) . .
S207 In34 S312 108.85(19) . .
S311 In34 S312 111.14(17) . .
S206 In35 S202 107.48(17) . 14_355
S206 In35 S307 109.92(18) . .
S202 In35 S307 109.79(18) 14_355 .
S206 In35 S311 109.80(18) . .
S202 In35 S311 107.54(17) 14_355 .
S307 In35 S311 112.18(17) . .
S210 In36 S203 106.35(18) . .
S210 In36 S306 109.67(19) . .
S203 In36 S306 108.91(18) . .
S210 In36 S304 110.32(19) . .
S203 In36 S304 109.85(18) . .
S306 In36 S304 111.60(16) . .
S212 In37 S204 108.17(18) . .
S212 In37 S305 108.68(18) . .
S204 In37 S305 108.21(18) . .
S212 In37 S304 110.32(18) . .
S204 In37 S304 109.85(18) . .
S305 In37 S304 111.52(16) . .
S204 In38 S204 106.5(2) . 14_355
S204 In38 S301 110.08(17) . .
S204 In38 S301 109.49(17) 14_355 .
S204 In38 S301 109.49(17) . 14_355
S204 In38 S301 110.08(17) 14_355 14_355
S301 In38 S301 111.1(2) . 14_355
S201 In39 S201 108.2(3) 14_355 .
S201 In39 S310 108.20(17) 14_355 .
S201 In39 S310 110.69(18) . .
S201 In39 S310 110.69(18) 14_355 14_355
S201 In39 S310 108.20(17) . 14_355
S310 In39 S310 110.8(2) . 14_355
S201 In30 S214 108.2(2) . .
S201 In30 S307 109.68(19) . .
S214 In30 S307 113.76(19) . .
S201 In30 S312 109.44(19) . .
S214 In30 S312 105.7(2) . .
S307 In30 S312 109.98(16) . .
S211 In21 S209 109.66(19) . .
S211 In21 S212 109.38(18) . .
S209 In21 S212 111.1(2) . .
S211 In21 S210 100.93(18) . .
S209 In21 S210 112.2(2) . .
S212 In21 S210 113.1(2) . .
S214 In22 S211 112.57(19) . 23_665
S214 In22 S206 114.2(2) . .
S211 In22 S206 100.15(18) 23_665 .
S214 In22 S213 109.3(2) . .
S211 In22 S213 106.46(19) 23_665 .
S206 In22 S213 113.64(19) . .
Cu40 S401 In41 110.11(19) . .
Cu40 S401 In43 110.83(19) . .
In41 S401 In43 109.77(18) . .
Cu40 S401 In42 109.66(18) . .
In41 S401 In42 108.11(18) . .
In43 S401 In42 108.29(18) . .
Cu40 S402 In46 112.1(2) . .
Cu40 S402 In45 110.6(2) . .
In46 S402 In45 109.15(19) . .
Cu40 S402 In44 109.03(18) . .
In46 S402 In44 108.15(19) . .
In45 S402 In44 107.69(18) . .
In42 S301 Cu43 106.02(18) . 14_355
In42 S301 In43 106.02(18) . 14_355
Cu43 S301 In43 0.00(7) 14_355 14_355
In42 S301 In38 107.02(18) . .
Cu43 S301 In38 108.19(18) 14_355 .
In43 S301 In38 108.19(18) 14_355 .
Cu46 S302 In46 0.00(8) 14_355 14_355
Cu46 S302 In41 106.25(18) 14_355 .
In46 S302 In41 106.25(18) 14_355 .
Cu46 S302 In32 106.92(18) 14_355 .
In46 S302 In32 106.92(18) 14_355 .
In41 S302 In32 106.05(18) . .
In43 S303 In45 105.83(18) . .
In43 S303 In33 107.62(19) . .
In45 S303 In33 107.16(18) . .
In43 S304 In37 108.06(18) . .
In43 S304 In36 107.05(18) . .
In37 S304 In36 107.37(19) . .
In42 S305 In37 108.19(19) . .
In42 S305 In31 106.71(18) . .
In37 S305 In31 107.91(18) . .
In41 S306 In36 109.07(19) . .
In41 S306 In31 107.55(18) . .
In36 S306 In31 108.08(18) . .
In46 S307 In35 107.88(19) . .
In46 S307 In30 109.02(19) . .
In35 S307 In30 107.9(2) . .
Cu45 S308 In45 0.00(7) 14_355 14_355
Cu45 S308 In42 107.42(18) 14_355 .
In45 S308 In42 107.42(18) 14_355 .
Cu45 S308 In32 108.07(18) 14_355 .
In45 S308 In32 108.07(18) 14_355 .
In42 S308 In32 107.84(19) . .
In41 S309 In44 104.80(18) . .
In41 S309 In33 108.48(18) . .
In44 S309 In33 107.56(18) . .
Cu46 S310 In46 0.00(11) 14_355 14_355
Cu46 S310 In44 105.50(18) 14_355 .
In46 S310 In44 105.50(18) 14_355 .
Cu46 S310 In39 108.88(18) 14_355 .
In46 S310 In39 108.88(18) 14_355 .
In44 S310 In39 106.95(17) . .
In45 S311 In34 106.66(19) . .
In45 S311 In35 107.61(19) . .
In34 S311 In35 106.93(19) . .
In44 S312 In34 108.58(18) . .
In44 S312 In30 107.78(19) . .
In34 S312 In30 108.53(19) . .
In30 S201 In39 107.4(2) . .
In35 S202 In32 106.57(18) 14_355 .
In36 S203 In33 106.65(19) . .
In37 S204 In38 106.73(19) . .
In31 S205 In32 107.00(19) . .
In35 S206 In22 105.7(2) . .
In33 S207 In34 106.5(2) . .
In31 S209 In21 106.0(2) . .
In36 S210 In21 105.4(2) . .
In21 S211 In22 107.7(2) . 31_566
In37 S212 In21 106.3(2) . .
In34 S213 In22 105.0(2) . .
In30 S214 In22 105.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu40 S402 2.317(5) 14_355
Cu40 S402 2.317(5) .
Cu40 S401 2.328(4) .
Cu40 S401 2.328(4) 14_355
In41 S401 2.389(5) .
In41 S302 2.407(5) .
In41 S309 2.425(5) .
In41 S306 2.432(5) .
In42 S401 2.404(5) .
In42 S301 2.411(5) .
In42 S308 2.416(5) .
In42 S305 2.442(5) .
In43 S401 2.398(5) .
In43 S303 2.405(5) .
In43 S301 2.419(5) 14_355
In43 S304 2.426(5) .
In44 S310 2.427(5) .
In44 S402 2.439(5) .
In44 S312 2.445(5) .
In44 S309 2.452(5) .
In45 S402 2.391(5) .
In45 S308 2.405(5) 14_355
In45 S303 2.417(5) .
In45 S311 2.426(5) .
In46 S402 2.374(5) .
In46 S302 2.397(5) 14_355
In46 S307 2.401(5) .
In46 S310 2.420(5) 14_355
In31 S205 2.410(5) .
In31 S209 2.414(5) .
In31 S306 2.487(5) .
In31 S305 2.495(5) .
In32 S202 2.434(5) .
In32 S205 2.438(5) .
In32 S302 2.466(5) .
In32 S308 2.493(5) .
In33 S207 2.421(5) .
In33 S203 2.431(5) .
In33 S309 2.485(5) .
In33 S303 2.491(5) .
In34 S213 2.412(5) .
In34 S207 2.421(5) .
In34 S311 2.493(5) .
In34 S312 2.505(6) .
In35 S206 2.411(5) .
In35 S202 2.430(5) 14_355
In35 S307 2.472(5) .
In35 S311 2.501(5) .
In36 S210 2.413(5) .
In36 S203 2.415(5) .
In36 S306 2.477(5) .
In36 S304 2.494(5) .
In37 S212 2.416(5) .
In37 S204 2.417(5) .
In37 S305 2.490(5) .
In37 S304 2.491(5) .
In38 S204 2.431(5) .
In38 S204 2.431(5) 14_355
In38 S301 2.492(5) .
In38 S301 2.492(5) 14_355
In39 S201 2.432(5) 14_355
In39 S201 2.432(5) .
In39 S310 2.493(5) .
In39 S310 2.493(5) 14_355
In30 S201 2.413(6) .
In30 S214 2.420(5) .
In30 S307 2.472(5) .
In30 S312 2.513(5) .
In21 S211 2.429(5) .
In21 S209 2.456(6) .
In21 S212 2.456(6) .
In21 S210 2.458(6) .
In22 S214 2.440(6) .
In22 S211 2.442(5) 23_665
In22 S206 2.459(5) .
In22 S213 2.470(6) .
S301 Cu43 2.419(5) 14_355
S301 In43 2.419(5) 14_355
S302 Cu46 2.397(5) 14_355
S302 In46 2.397(5) 14_355
S308 Cu45 2.405(5) 14_355
S308 In45 2.405(5) 14_355
S310 Cu46 2.420(5) 14_355
S310 In46 2.420(5) 14_355
S202 In35 2.430(5) 14_355
S211 In22 2.442(5) 31_566
