#------------------------------------------------------------------------------
#$Date: 2019-11-28 12:53:04 +0200 (Thu, 28 Nov 2019) $
#$Revision: 243841 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/23/7702366.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_7702366
loop_
_publ_author_name
'Zhu, Nianyong'
'Fenske, Dieter'
_publ_section_title
;
 Novel Cu--Se clusters with Se--layer structures:
 [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10],
 [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36]
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1067
_journal_paper_doi               10.1039/a900021f
_journal_year                    1999
_chemical_compound_source        Diethylether
_chemical_formula_moiety         'C138 H320 Cu50 O2 P10 Se30'
_chemical_formula_structural     'C34.5 H80 Cu12.5 O0.5 P2.5 Se7.5'
_chemical_formula_sum            'C138 H320 Cu50 O2 P10 Se30'
_chemical_formula_weight         7867.44
_chemical_name_common            Copper-selenato-selenido-cluster
_chemical_name_systematic
;
 The CIF file for the structure of 3
;
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 119.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   33.998(7)
_cell_length_b                   20.160(4)
_cell_length_c                   19.923(4)
_cell_measurement_temperature    203(2)
_cell_volume                     11892(5)
_computing_cell_refinement       Stoe-IPDS-software
_computing_data_collection       Stoe-IPDS-software
_computing_data_reduction        Stoe-IPDS-software
_computing_molecular_graphics    Schakal-97
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measurement_device       Stoe-IPDS
_diffrn_measurement_method       Imaging-plate
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28803
_diffrn_reflns_theta_max         25.96
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    9.052
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    2.197
_exptl_crystal_description       Prism
_exptl_crystal_F_000             7568
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.801
_refine_diff_density_min         -1.726
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.009
_refine_ls_goodness_of_fit_obs   1.034
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         11156
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.009
_refine_ls_restrained_S_obs      1.034
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_obs          0.0682
_refine_ls_shift/esd_max         0.072
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=3D1/[s²(Fo²)+( 0.1278P)²+173.5518P] where = P=3D(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2060
_refine_ls_wR_factor_obs         0.1892
_reflns_number_observed          8990
_reflns_number_total             11157
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            900021f.txt
_cod_data_source_block           Cu50Se20(SetBu)10(PiPr3)10
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_refine_ls_weighting_scheme' value 'calc
w=3D1/[s^2^(Fo^2^)+( 0.1278P)^2^+173.5518P] where =
P=3D(Fo^2^+2Fc^2^)/3' was changed to 'calc'. A new data item
'_refine_ls_weighting_details' was created with the value set to
'w=3D1/[s^2^(Fo^2^)+( 0.1278P)^2^+173.5518P] where =
P=3D(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        11891.8(41)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7702366
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Se1 Se 0.12396(3) -0.16915(4) -0.33686(5) 0.0370(2) Uani 1 d .
Se2 Se 0.04668(4) 0.0000 -0.63598(7) 0.0328(3) Uani 1 d S
Se3 Se 0.18834(4) 0.0000 -0.19411(7) 0.0367(3) Uani 1 d S
Se4 Se 0.05850(4) 0.0000 -0.40357(7) 0.0293(3) Uani 1 d S
Se5 Se 0.01558(3) -0.18582(4) -0.57282(5) 0.0354(2) Uani 1 d .
Se6 Se 0.17515(4) 0.0000 -0.42624(8) 0.0383(3) Uani 1 d S
Se7 Se 0.07390(3) 0.10524(5) -0.19849(5) 0.0389(2) Uani 1 d .
Se8 Se -0.05367(4) -0.17411(5) -0.26355(6) 0.0455(3) Uani 1 d .
Se9 Se 0.15584(3) -0.16026(5) -0.52080(6) 0.0445(3) Uani 1 d .
Se10 Se 0.13929(5) 0.0000 -0.67403(8) 0.0484(4) Uani 1 d S
Cu1 Cu -0.04921(7) 0.0000 -0.7391(2) 0.0666(6) Uani 1 d S
Cu2 Cu 0.13168(7) 0.0000 -0.56154(10) 0.0478(4) Uani 1 d S
Cu3 Cu 0.08779(5) 0.0000 -0.49071(9) 0.0355(3) Uani 1 d S
Cu4 Cu 0.07998(4) -0.13149(7) -0.55995(7) 0.0468(3) Uani 1 d .
Cu5 Cu 0.00742(4) -0.06498(5) -0.57782(7) 0.0375(3) Uani 1 d .
Cu6 Cu 0.12146(5) -0.07236(7) -0.25486(9) 0.0547(4) Uani 1 d .
Cu7 Cu 0.05522(4) -0.14701(6) -0.32340(7) 0.0393(3) Uani 1 d .
Cu8 Cu 0.14481(4) -0.10787(6) -0.41703(7) 0.0391(3) Uani 1 d .
Cu9 Cu 0.15014(7) 0.0000 -0.33465(10) 0.0459(4) Uani 1 d S
Cu10 Cu -0.11553(5) -0.10709(7) -0.35273(8) 0.0514(3) Uani 1 d .
Cu11 Cu -0.00716(4) -0.09852(6) -0.28914(8) 0.0449(3) Uani 1 d .
Cu12 Cu 0.05666(4) -0.12144(6) -0.44817(7) 0.0414(3) Uani 1 d .
Cu13 Cu 0.19288(4) -0.10675(7) -0.25743(8) 0.0497(3) Uani 1 d .
Cu14 Cu 0.00419(6) -0.22290(7) -0.28998(10) 0.0621(4) Uani 1 d .
Cu15 Cu 0.13075(8) 0.0000 -0.14187(10) 0.0552(5) Uani 1 d S
P1 P 0.25871(12) -0.1603(2) -0.2096(2) 0.0788(12) Uani 1 d .
P2 P 0.04049(14) -0.32009(15) -0.2603(2) 0.0739(11) Uani 1 d .
P3 P 0.16099(14) 0.0000 -0.0141(2) 0.0484(9) Uani 1 d SD
C11 C -0.0363(5) -0.1589(6) -0.1519(8) 0.060(3) Uiso 1 d .
C12 C -0.0332(7) -0.0826(9) -0.1390(11) 0.091(5) Uiso 1 d .
C13 C -0.0754(7) -0.1910(10) -0.1457(12) 0.100(5) Uiso 1 d .
C14 C 0.0085(5) -0.1915(8) -0.1026(9) 0.075(4) Uiso 1 d .
C21 C 0.1552(5) -0.2623(7) -0.5232(8) 0.064(3) Uiso 1 d .
C22A C 0.1399(11) -0.2855(15) -0.4681(18) 0.075(7) Uiso 0.50 d P
C22B C 0.1103(13) -0.2884(18) -0.5359(21) 0.090(9) Uiso 0.50 d P
C23A C 0.2062(12) -0.2825(16) -0.4904(19) 0.081(8) Uiso 0.50 d P
C23B C 0.1945(14) -0.2829(19) -0.4473(23) 0.096(10) Uiso 0.50 d P
C24A C 0.1276(10) -0.2912(13) -0.6012(16) 0.065(6) Uiso 0.50 d P
C24B C 0.1605(12) -0.2787(16) -0.5904(19) 0.079(8) Uiso 0.50 d P
C31 C 0.2064(7) 0.0000 -0.6364(11) 0.064(4) Uiso 1 d S
C32 C 0.2162(8) 0.0627(12) -0.6658(14) 0.121(7) Uiso 1 d .
C33 C 0.2316(12) 0.0000 -0.5504(20) 0.117(10) Uiso 1 d S
C111 C 0.2512(10) -0.2471(13) -0.1666(16) 0.063(6) Uiso 0.50 d P
C112 C 0.2186(11) -0.2970(15) -0.2407(19) 0.064(7) Uiso 0.50 d P
C113 C 0.2354(13) -0.2354(19) -0.1095(22) 0.094(10) Uiso 0.50 d P
C121 C 0.2685(9) -0.1916(12) -0.2853(14) 0.057(5) Uiso 0.50 d P
C122 C 0.2779(11) -0.1364(17) -0.3231(19) 0.066(8) Uiso 0.50 d P
C123 C 0.3062(11) -0.2438(16) -0.2696(19) 0.076(8) Uiso 0.50 d P
C131 C 0.3103(11) -0.1308(15) -0.1300(18) 0.070(7) Uiso 0.50 d P
C132 C 0.3024(18) -0.0994(27) -0.0646(32) 0.108(14) Uiso 0.50 d P
C133 C 0.3490(13) -0.1819(19) -0.0797(22) 0.093(10) Uiso 0.50 d P
C141 C 0.2977(15) -0.1057(22) -0.2503(26) 0.107(12) Uiso 0.50 d P
C142 C 0.2785(17) -0.1144(24) -0.3368(28) 0.101(14) Uiso 0.50 d P
C143 C 0.2948(23) -0.0349(31) -0.2314(39) 0.176(25) Uiso 0.50 d P
C151 C 0.2621(19) -0.2345(27) -0.2468(32) 0.134(16) Uiso 0.50 d P
C152 C 0.3066(21) -0.2707(30) -0.2231(36) 0.146(19) Uiso 0.50 d P
C153 C 0.2328(16) -0.2820(22) -0.2115(28) 0.098(12) Uiso 0.50 d P
C161 C 0.2927(19) -0.1517(28) -0.1061(34) 0.134(17) Uiso 0.50 d P
C162 C 0.2660(24) -0.1741(32) -0.0749(40) 0.163(22) Uiso 0.50 d P
C163 C 0.3069(24) -0.0851(33) -0.0889(39) 0.138(21) Uiso 0.50 d P
C211 C 0.0331(9) -0.3662(12) -0.3475(15) 0.122(7) Uiso 1 d .
C212 C 0.0587(7) -0.3357(10) -0.3858(11) 0.096(5) Uiso 1 d .
C213 C -0.0128(13) -0.3900(18) -0.3958(22) 0.176(12) Uiso 1 d .
C221 C 0.0213(9) -0.3762(12) -0.2046(15) 0.126(7) Uiso 1 d .
C222 C -0.0372(19) -0.3833(26) -0.2890(33) 0.254(23) Uiso 1 d .
C223 C -0.0285(12) -0.3678(17) -0.2286(22) 0.164(12) Uiso 1 d .
C231 C 0.1022(7) -0.3133(10) -0.2010(12) 0.104(6) Uiso 1 d .
C232 C 0.1181(9) -0.2781(13) -0.1246(16) 0.131(8) Uiso 1 d .
C233 C 0.1282(12) -0.3840(16) -0.1832(20) 0.160(11) Uiso 1 d .
C311 C 0.1224(14) 0.0395(22) 0.0183(27) 0.118(14) Uiso 0.50 d PD
C312 C 0.0771(13) 0.0000 -0.0175(21) 0.123(10) Uiso 1 d S
C313 C 0.1466(42) 0.0455(55) 0.1122(75) 0.327(67) Uiso 0.50 d P
C321 C 0.1616(22) -0.0906(16) 0.0170(35) 0.145(19) Uiso 0.50 d PD
C322 C 0.1853(14) -0.1378(18) -0.0078(22) 0.089(9) Uiso 0.50 d P
C323 C 0.1416(24) -0.1227(34) 0.0349(41) 0.163(22) Uiso 0.50 d P
C331 C 0.2190(17) 0.0357(42) 0.0550(45) 0.247(43) Uiso 0.50 d PD
C332 C 0.2521(25) 0.0000 0.0333(41) 0.242(29) Uiso 1 d S
C333 C 0.2137(23) 0.1131(33) -0.0027(38) 0.157(22) Uiso 0.50 d P
O1 O 0.3547(15) 0.0000 0.4786(28) 0.218(16) Uiso 1 d S
C C 0.3682(20) 0.0000 0.4185(37) 0.195(21) Uiso 1 d S
C2 C 0.3431(24) 0.0000 0.3360(42) 0.233(27) Uiso 1 d S
C3 C 0.3812(20) 0.0000 0.5505(37) 0.195(21) Uiso 1 d S
C4 C 0.3562(21) 0.0000 0.6030(36) 0.213(23) Uiso 1 d S
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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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
Cu8 Se1 Cu13 70.12(6) . .
Cu8 Se1 Cu12 69.26(5) . .
Cu13 Se1 Cu12 123.61(6) . .
Cu8 Se1 Cu7 125.16(5) . .
Cu13 Se1 Cu7 119.07(6) . .
Cu12 Se1 Cu7 61.83(5) . .
Cu8 Se1 Cu6 98.38(6) . .
Cu13 Se1 Cu6 61.13(5) . .
Cu12 Se1 Cu6 88.26(6) . .
Cu7 Se1 Cu6 58.42(5) . .
Cu11 Se2 Cu11 108.29(8) 5_554 2_554
Cu11 Se2 Cu2 119.06(5) 5_554 .
Cu11 Se2 Cu2 119.06(5) 2_554 .
Cu11 Se2 Cu3 121.85(5) 5_554 .
Cu11 Se2 Cu3 121.85(5) 2_554 .
Cu2 Se2 Cu3 59.70(7) . .
Cu11 Se2 Cu5 66.62(5) 5_554 6
Cu11 Se2 Cu5 116.43(6) 2_554 6
Cu2 Se2 Cu5 116.29(6) . 6
Cu3 Se2 Cu5 65.95(5) . 6
Cu11 Se2 Cu5 116.43(6) 5_554 .
Cu11 Se2 Cu5 66.62(5) 2_554 .
Cu2 Se2 Cu5 116.29(6) . .
Cu3 Se2 Cu5 65.95(5) . .
Cu5 Se2 Cu5 62.59(6) 6 .
Cu11 Se2 Cu1 58.33(5) 5_554 .
Cu11 Se2 Cu1 58.34(5) 2_554 .
Cu2 Se2 Cu1 172.35(9) . .
Cu3 Se2 Cu1 127.94(9) . .
Cu5 Se2 Cu1 70.02(7) 6 .
Cu5 Se2 Cu1 70.02(7) . .
Cu9 Se3 Cu6 66.02(6) . 6
Cu9 Se3 Cu6 66.02(6) . .
Cu6 Se3 Cu6 72.70(8) 6 .
Cu9 Se3 Cu13 63.74(4) . 6
Cu6 Se3 Cu13 61.32(5) 6 6
Cu6 Se3 Cu13 121.70(7) . 6
Cu9 Se3 Cu13 63.74(4) . .
Cu6 Se3 Cu13 121.70(7) 6 .
Cu6 Se3 Cu13 61.32(5) . .
Cu13 Se3 Cu13 116.02(9) 6 .
Cu9 Se3 Cu15 111.98(8) . .
Cu6 Se3 Cu15 60.47(6) 6 .
Cu6 Se3 Cu15 60.47(6) . .
Cu13 Se3 Cu15 115.83(5) 6 .
Cu13 Se3 Cu15 115.83(5) . .
Cu3 Se4 Cu5 124.37(6) . 5_554
Cu3 Se4 Cu5 124.37(6) . 2_554
Cu5 Se4 Cu5 64.30(6) 5_554 2_554
Cu3 Se4 Cu12 72.51(4) . 6
Cu5 Se4 Cu12 65.13(4) 5_554 6
Cu5 Se4 Cu12 125.71(6) 2_554 6
Cu3 Se4 Cu12 72.52(4) . .
Cu5 Se4 Cu12 125.70(6) 5_554 .
Cu5 Se4 Cu12 65.12(4) 2_554 .
Cu12 Se4 Cu12 141.31(7) 6 .
Cu3 Se4 Cu9 65.38(6) . .
Cu5 Se4 Cu9 143.98(4) 5_554 .
Cu5 Se4 Cu9 143.98(4) 2_554 .
Cu12 Se4 Cu9 90.10(4) 6 .
Cu12 Se4 Cu9 90.10(4) . .
Cu4 Se5 Cu7 115.32(6) . 2_554
Cu4 Se5 Cu5 67.73(5) . .
Cu7 Se5 Cu5 66.17(4) 2_554 .
Cu4 Se5 Cu12 67.53(5) . .
Cu7 Se5 Cu12 120.89(6) 2_554 .
Cu5 Se5 Cu12 61.71(4) . .
Cu4 Se5 Cu14 89.66(6) . 2_554
Cu7 Se5 Cu14 63.57(6) 2_554 2_554
Cu5 Se5 Cu14 106.23(5) . 2_554
Cu12 Se5 Cu14 156.70(6) . 2_554
Cu2 Se6 Cu9 128.56(9) . .
Cu2 Se6 Cu8 92.02(5) . 6
Cu9 Se6 Cu8 67.53(4) . 6
Cu2 Se6 Cu8 92.02(5) . .
Cu9 Se6 Cu8 67.52(4) . .
Cu8 Se6 Cu8 124.96(8) 6 .
Cu2 Se6 Cu3 60.71(7) . .
Cu9 Se6 Cu3 67.84(7) . .
Cu8 Se6 Cu3 67.38(4) 6 .
Cu8 Se6 Cu3 67.38(4) . .
Cu1 Se7 Cu7 85.77(8) 5_554 6
Cu1 Se7 Cu11 65.61(6) 5_554 6
Cu7 Se7 Cu11 68.02(6) 6 6
Cu1 Se7 Cu6 70.54(8) 5_554 6
Cu7 Se7 Cu6 61.38(5) 6 6
Cu11 Se7 Cu6 113.66(6) 6 6
Cu1 Se7 Cu15 61.25(7) 5_554 .
Cu7 Se7 Cu15 118.49(6) 6 .
Cu11 Se7 Cu15 125.26(6) 6 .
Cu6 Se7 Cu15 59.18(6) 6 .
C11 Se8 Cu10 113.9(4) . .
C11 Se8 Cu11 105.5(4) . .
Cu10 Se8 Cu11 85.12(6) . .
C11 Se8 Cu14 117.4(4) . .
Cu10 Se8 Cu14 124.49(7) . .
Cu11 Se8 Cu14 62.38(5) . .
C21 Se9 Cu4 103.8(4) . .
C21 Se9 Cu10 114.9(4) . 2_554
Cu4 Se9 Cu10 65.53(6) . 2_554
C21 Se9 Cu8 115.8(4) . .
Cu4 Se9 Cu8 65.73(6) . .
Cu10 Se9 Cu8 115.44(6) 2_554 .
C31 Se10 Cu2 106.0(6) . .
C31 Se10 Cu10 110.6(2) . 5_554
Cu2 Se10 Cu10 66.14(5) . 5_554
C31 Se10 Cu10 110.6(2) . 2_554
Cu2 Se10 Cu10 66.14(5) . 2_554
Cu10 Se10 Cu10 123.25(9) 5_554 2_554
Se7 Cu1 Se7 124.94(12) 2_554 5_554
Se7 Cu1 Cu15 65.45(6) 2_554 5_554
Se7 Cu1 Cu15 65.44(6) 5_554 5_554
Se7 Cu1 Cu11 58.17(5) 2_554 5_554
Se7 Cu1 Cu11 144.71(13) 5_554 5_554
Cu15 Cu1 Cu11 122.13(8) 5_554 5_554
Se7 Cu1 Cu11 144.71(13) 2_554 2_554
Se7 Cu1 Cu11 58.17(5) 5_554 2_554
Cu15 Cu1 Cu11 122.13(8) 5_554 2_554
Cu11 Cu1 Cu11 98.50(10) 5_554 2_554
Se7 Cu1 Cu6 56.02(5) 2_554 5_554
Se7 Cu1 Cu6 111.24(9) 5_554 5_554
Cu15 Cu1 Cu6 56.39(6) 5_554 5_554
Cu11 Cu1 Cu6 98.47(5) 5_554 5_554
Cu11 Cu1 Cu6 159.11(10) 2_554 5_554
Se7 Cu1 Cu6 111.24(9) 2_554 2_554
Se7 Cu1 Cu6 56.02(5) 5_554 2_554
Cu15 Cu1 Cu6 56.38(6) 5_554 2_554
Cu11 Cu1 Cu6 159.11(10) 5_554 2_554
Cu11 Cu1 Cu6 98.47(5) 2_554 2_554
Cu6 Cu1 Cu6 62.59(8) 5_554 2_554
Se7 Cu1 Se2 110.88(6) 2_554 .
Se7 Cu1 Se2 110.88(6) 5_554 .
Cu15 Cu1 Se2 166.41(14) 5_554 .
Cu11 Cu1 Se2 52.71(5) 5_554 .
Cu11 Cu1 Se2 52.71(5) 2_554 .
Cu6 Cu1 Se2 133.72(9) 5_554 .
Cu6 Cu1 Se2 133.71(9) 2_554 .
Se6 Cu2 Se10 141.40(10) . .
Se6 Cu2 Cu3 64.38(7) . .
Se10 Cu2 Cu3 154.22(10) . .
Se6 Cu2 Se2 124.59(9) . .
Se10 Cu2 Se2 94.01(8) . .
Cu3 Cu2 Se2 60.20(7) . .
Se6 Cu2 Cu10 123.75(5) . 5_554
Se10 Cu2 Cu10 58.29(5) . 5_554
Cu3 Cu2 Cu10 111.86(6) . 5_554
Se2 Cu2 Cu10 78.77(6) . 5_554
Se6 Cu2 Cu10 123.75(5) . 2_554
Se10 Cu2 Cu10 58.29(5) . 2_554
Cu3 Cu2 Cu10 111.86(6) . 2_554
Se2 Cu2 Cu10 78.77(6) . 2_554
Cu10 Cu2 Cu10 109.86(9) 5_554 2_554
Se4 Cu3 Cu2 170.07(9) . .
Se4 Cu3 Se2 129.84(8) . .
Cu2 Cu3 Se2 60.09(7) . .
Se4 Cu3 Se6 115.17(8) . .
Cu2 Cu3 Se6 54.90(6) . .
Se2 Cu3 Se6 114.99(8) . .
Se4 Cu3 Cu5 79.54(6) . 6
Cu2 Cu3 Cu5 109.09(7) . 6
Se2 Cu3 Cu5 57.05(5) . 6
Se6 Cu3 Cu5 148.80(4) . 6
Se4 Cu3 Cu5 79.54(6) . .
Cu2 Cu3 Cu5 109.09(7) . .
Se2 Cu3 Cu5 57.05(5) . .
Se6 Cu3 Cu5 148.80(4) . .
Cu5 Cu3 Cu5 57.02(6) 6 .
Se4 Cu3 Cu9 63.05(6) . .
Cu2 Cu3 Cu9 107.02(8) . .
Se2 Cu3 Cu9 167.11(9) . .
Se6 Cu3 Cu9 52.11(6) . .
Cu5 Cu3 Cu9 133.17(7) 6 .
Cu5 Cu3 Cu9 133.17(7) . .
Se4 Cu3 Cu8 92.72(5) . .
Cu2 Cu3 Cu8 81.08(5) . .
Se2 Cu3 Cu8 116.88(5) . .
Se6 Cu3 Cu8 53.92(4) . .
Cu5 Cu3 Cu8 156.85(6) 6 .
Cu5 Cu3 Cu8 100.27(4) . .
Cu9 Cu3 Cu8 57.41(4) . .
Se4 Cu3 Cu8 92.72(5) . 6
Cu2 Cu3 Cu8 81.07(5) . 6
Se2 Cu3 Cu8 116.88(5) . 6
Se6 Cu3 Cu8 53.92(4) . 6
Cu5 Cu3 Cu8 100.27(4) 6 6
Cu5 Cu3 Cu8 156.86(6) . 6
Cu9 Cu3 Cu8 57.41(4) . 6
Cu8 Cu3 Cu8 101.87(7) . 6
Se4 Cu3 Cu4 111.56(4) . 6
Cu2 Cu3 Cu4 71.17(4) . 6
Se2 Cu3 Cu4 65.79(4) . 6
Se6 Cu3 Cu4 92.85(5) . 6
Cu5 Cu3 Cu4 55.99(4) 6 6
Cu5 Cu3 Cu4 107.55(6) . 6
Cu9 Cu3 Cu4 111.67(4) . 6
Cu8 Cu3 Cu4 145.66(7) . 6
Cu8 Cu3 Cu4 54.92(4) 6 6
Se4 Cu3 Cu4 111.56(4) . .
Cu2 Cu3 Cu4 71.18(4) . .
Se2 Cu3 Cu4 65.79(4) . .
Se6 Cu3 Cu4 92.85(5) . .
Cu5 Cu3 Cu4 107.55(6) 6 .
Cu5 Cu3 Cu4 55.99(4) . .
Cu9 Cu3 Cu4 111.67(4) . .
Cu8 Cu3 Cu4 54.92(4) . .
Cu8 Cu3 Cu4 145.66(7) 6 .
Cu4 Cu3 Cu4 128.79(8) 6 .
Se4 Cu3 Cu12 56.97(4) . 6
Cu2 Cu3 Cu12 123.92(4) . 6
Se2 Cu3 Cu12 104.77(5) . 6
Se6 Cu3 Cu12 110.05(5) . 6
Cu5 Cu3 Cu12 53.11(4) 6 6
Cu5 Cu3 Cu12 101.04(6) . 6
Cu9 Cu3 Cu12 82.09(5) . 6
Cu8 Cu3 Cu12 138.33(7) . 6
Cu8 Cu3 Cu12 57.25(4) 6 6
Cu4 Cu3 Cu12 54.86(4) 6 6
Cu4 Cu3 Cu12 156.97(7) . 6
Se5 Cu4 Se9 136.67(7) . .
Se5 Cu4 Cu10 136.79(7) . 2_554
Se9 Cu4 Cu10 58.63(5) . 2_554
Se5 Cu4 Cu8 116.09(7) . .
Se9 Cu4 Cu8 59.65(5) . .
Cu10 Cu4 Cu8 105.64(6) 2_554 .
Se5 Cu4 Cu5 57.94(4) . .
Se9 Cu4 Cu5 161.82(7) . .
Cu10 Cu4 Cu5 121.11(7) 2_554 .
Cu8 Cu4 Cu5 106.18(6) . .
Se5 Cu4 Cu12 59.42(5) . .
Se9 Cu4 Cu12 117.24(7) . .
Cu10 Cu4 Cu12 162.14(7) 2_554 .
Cu8 Cu4 Cu12 61.90(5) . .
Cu5 Cu4 Cu12 56.57(5) . .
Se5 Cu4 Cu11 73.53(5) . 2_554
Se9 Cu4 Cu11 129.65(7) . 2_554
Cu10 Cu4 Cu11 72.69(6) 2_554 2_554
Cu8 Cu4 Cu11 156.14(7) . 2_554
Cu5 Cu4 Cu11 58.78(5) . 2_554
Cu12 Cu4 Cu11 113.05(6) . 2_554
Se5 Cu4 Cu3 109.65(6) . .
Se9 Cu4 Cu3 103.51(6) . .
Cu10 Cu4 Cu3 100.28(6) 2_554 .
Cu8 Cu4 Cu3 59.88(5) . .
Cu5 Cu4 Cu3 58.31(5) . .
Cu12 Cu4 Cu3 62.81(5) . .
Cu11 Cu4 Cu3 96.59(6) 2_554 .
Se5 Cu5 Se4 127.74(6) . 5_554
Se5 Cu5 Se2 117.42(6) . .
Se4 Cu5 Se2 107.62(5) 5_554 .
Se5 Cu5 Cu12 60.69(4) . .
Se4 Cu5 Cu12 119.03(7) 5_554 .
Se2 Cu5 Cu12 117.68(6) . .
Se5 Cu5 Cu5 174.27(3) . 6
Se4 Cu5 Cu5 57.85(3) 5_554 6
Se2 Cu5 Cu5 58.70(3) . 6
Cu12 Cu5 Cu5 116.48(4) . 6
Se5 Cu5 Cu7 56.14(4) . 2_554
Se4 Cu5 Cu7 83.13(5) 5_554 2_554
Se2 Cu5 Cu7 113.36(6) . 2_554
Cu12 Cu5 Cu7 111.16(6) . 2_554
Cu5 Cu5 Cu7 128.61(4) 6 2_554
Se5 Cu5 Cu4 54.33(4) . .
Se4 Cu5 Cu4 177.70(6) 5_554 .
Se2 Cu5 Cu4 70.10(5) . .
Cu12 Cu5 Cu4 62.51(5) . .
Cu5 Cu5 Cu4 120.10(4) 6 .
Cu7 Cu5 Cu4 97.93(6) 2_554 .
Se5 Cu5 Cu12 70.22(5) . 2_554
Se4 Cu5 Cu12 59.80(4) 5_554 2_554
Se2 Cu5 Cu12 163.29(6) . 2_554
Cu12 Cu5 Cu12 79.01(6) . 2_554
Cu5 Cu5 Cu12 114.71(3) 6 2_554
Cu7 Cu5 Cu12 56.94(5) 2_554 2_554
Cu4 Cu5 Cu12 122.48(6) . 2_554
Se5 Cu5 Cu11 74.89(5) . 2_554
Se4 Cu5 Cu11 114.66(6) 5_554 2_554
Se2 Cu5 Cu11 55.44(4) . 2_554
Cu12 Cu5 Cu11 124.00(6) . 2_554
Cu5 Cu5 Cu11 104.33(3) 6 2_554
Cu7 Cu5 Cu11 60.45(5) 2_554 2_554
Cu4 Cu5 Cu11 64.38(6) . 2_554
Cu12 Cu5 Cu11 117.37(6) 2_554 2_554
Se5 Cu5 Cu3 113.05(5) . .
Se4 Cu5 Cu3 113.02(5) 5_554 .
Se2 Cu5 Cu3 57.00(5) . .
Cu12 Cu5 Cu3 67.62(5) . .
Cu5 Cu5 Cu3 61.49(3) 6 .
Cu7 Cu5 Cu3 162.62(6) 2_554 .
Cu4 Cu5 Cu3 65.70(5) . .
Cu12 Cu5 Cu3 136.05(6) 2_554 .
Cu11 Cu5 Cu3 105.02(6) 2_554 .
Se3 Cu6 Se7 126.05(7) . 6
Se3 Cu6 Cu7 176.03(8) . .
Se7 Cu6 Cu7 57.89(5) 6 .
Se3 Cu6 Cu13 60.81(5) . .
Se7 Cu6 Cu13 141.16(8) 6 .
Cu7 Cu6 Cu13 116.03(7) . .
Se3 Cu6 Cu15 63.03(7) . .
Se7 Cu6 Cu15 65.15(6) 6 .
Cu7 Cu6 Cu15 120.89(8) . .
Cu13 Cu6 Cu15 117.65(9) . .
Se3 Cu6 Se1 116.80(7) . .
Se7 Cu6 Se1 108.57(6) 6 .
Cu7 Cu6 Se1 59.71(5) . .
Cu13 Cu6 Se1 56.77(5) . .
Cu15 Cu6 Se1 163.55(8) . .
Se3 Cu6 Cu9 56.60(6) . .
Se7 Cu6 Cu9 158.37(8) 6 .
Cu7 Cu6 Cu9 120.07(8) . .
Cu13 Cu6 Cu9 60.43(6) . .
Cu15 Cu6 Cu9 106.73(6) . .
Se1 Cu6 Cu9 84.30(5) . .
Se3 Cu6 Cu1 106.88(6) . 5_554
Se7 Cu6 Cu1 53.44(6) 6 5_554
Cu7 Cu6 Cu1 75.75(6) . 5_554
Cu13 Cu6 Cu1 164.16(8) . 5_554
Cu15 Cu6 Cu1 58.02(8) . 5_554
Se1 Cu6 Cu1 131.92(7) . 5_554
Cu9 Cu6 Cu1 104.99(8) . 5_554
Se3 Cu6 Cu6 53.65(4) . 6
Se7 Cu6 Cu6 105.57(4) 6 6
Cu7 Cu6 Cu6 127.27(5) . 6
Cu13 Cu6 Cu6 105.78(5) . 6
Cu15 Cu6 Cu6 55.39(4) . 6
Se1 Cu6 Cu6 139.32(4) . 6
Cu9 Cu6 Cu6 56.88(4) . 6
Cu1 Cu6 Cu6 58.71(4) 5_554 6
Se7 Cu7 Se5 130.44(7) 6 2_554
Se7 Cu7 Cu6 60.73(5) 6 .
Se5 Cu7 Cu6 157.31(7) 2_554 .
Se7 Cu7 Se1 112.72(6) 6 .
Se5 Cu7 Se1 116.06(6) 2_554 .
Cu6 Cu7 Se1 61.87(5) . .
Se7 Cu7 Cu12 144.52(6) 6 .
Se5 Cu7 Cu12 73.73(5) 2_554 .
Cu6 Cu7 Cu12 88.11(6) . .
Se1 Cu7 Cu12 58.10(5) . .
Se7 Cu7 Cu14 79.22(6) 6 .
Se5 Cu7 Cu14 61.51(5) 2_554 .
Cu6 Cu7 Cu14 138.14(7) . .
Se1 Cu7 Cu14 133.24(6) . .
Cu12 Cu7 Cu14 133.74(7) . .
Se7 Cu7 Cu5 104.93(6) 6 2_554
Se5 Cu7 Cu5 57.68(4) 2_554 2_554
Cu6 Cu7 Cu5 102.15(6) . 2_554
Se1 Cu7 Cu5 118.71(6) . 2_554
Cu12 Cu7 Cu5 62.98(5) . 2_554
Cu14 Cu7 Cu5 99.29(6) . 2_554
Se7 Cu7 Cu11 56.82(5) 6 .
Se5 Cu7 Cu11 75.96(5) 2_554 .
Cu6 Cu7 Cu11 104.66(6) . .
Se1 Cu7 Cu11 166.52(6) . .
Cu12 Cu7 Cu11 124.21(6) . .
Cu14 Cu7 Cu11 56.71(5) . .
Cu5 Cu7 Cu11 61.26(5) 2_554 .
Se1 Cu8 Se6 141.59(6) . .
Se1 Cu8 Se9 123.21(6) . .
Se6 Cu8 Se9 94.18(6) . .
Se1 Cu8 Cu4 105.22(6) . .
Se6 Cu8 Cu4 103.72(6) . .
Se9 Cu8 Cu4 54.63(4) . .
Se1 Cu8 Cu9 87.88(6) . .
Se6 Cu8 Cu9 54.63(5) . .
Se9 Cu8 Cu9 148.76(7) . .
Cu4 Cu8 Cu9 125.08(6) . .
Se1 Cu8 Cu12 56.77(5) . .
Se6 Cu8 Cu12 121.43(6) . .
Se9 Cu8 Cu12 111.03(6) . .
Cu4 Cu8 Cu12 60.19(5) . .
Cu9 Cu8 Cu12 87.54(6) . .
Se1 Cu8 Cu13 55.78(5) . .
Se6 Cu8 Cu13 92.64(6) . .
Se9 Cu8 Cu13 134.96(6) . .
Cu4 Cu8 Cu13 160.85(7) . .
Cu9 Cu8 Cu13 57.69(5) . .
Cu12 Cu8 Cu13 102.81(6) . .
Se1 Cu8 Cu3 113.33(6) . .
Se6 Cu8 Cu3 58.70(5) . .
Se9 Cu8 Cu3 103.91(6) . .
Cu4 Cu8 Cu3 65.20(5) . .
Cu9 Cu8 Cu3 60.75(5) . .
Cu12 Cu8 Cu3 64.13(5) . .
Cu13 Cu8 Cu3 117.46(6) . .
Se6 Cu9 Se3 134.11(10) . .
Se6 Cu9 Cu13 98.44(7) . 6
Se3 Cu9 Cu13 59.94(5) . 6
Se6 Cu9 Cu13 98.44(7) . .
Se3 Cu9 Cu13 59.94(5) . .
Cu13 Cu9 Cu13 109.89(9) 6 .
Se6 Cu9 Cu6 146.67(4) . 6
Se3 Cu9 Cu6 57.37(5) . 6
Cu13 Cu9 Cu6 57.52(5) 6 6
Cu13 Cu9 Cu6 110.94(7) . 6
Se6 Cu9 Cu6 146.67(4) . .
Se3 Cu9 Cu6 57.38(5) . .
Cu13 Cu9 Cu6 110.94(7) 6 .
Cu13 Cu9 Cu6 57.52(5) . .
Cu6 Cu9 Cu6 66.23(7) 6 .
Se6 Cu9 Cu8 57.85(4) . .
Se3 Cu9 Cu8 122.76(4) . .
Cu13 Cu9 Cu8 151.09(10) 6 .
Cu13 Cu9 Cu8 62.94(5) . .
Cu6 Cu9 Cu8 150.98(8) 6 .
Cu6 Cu9 Cu8 89.23(5) . .
Se6 Cu9 Cu8 57.85(4) . 6
Se3 Cu9 Cu8 122.76(4) . 6
Cu13 Cu9 Cu8 62.94(5) 6 6
Cu13 Cu9 Cu8 151.08(10) . 6
Cu6 Cu9 Cu8 89.24(5) 6 6
Cu6 Cu9 Cu8 150.99(8) . 6
Cu8 Cu9 Cu8 108.69(8) . 6
Se6 Cu9 Se4 111.61(8) . .
Se3 Cu9 Se4 114.28(9) . .
Cu13 Cu9 Se4 117.53(6) 6 .
Cu13 Cu9 Se4 117.53(6) . .
Cu6 Cu9 Se4 68.74(6) 6 .
Cu6 Cu9 Se4 68.74(6) . .
Cu8 Cu9 Se4 88.56(6) . .
Cu8 Cu9 Se4 88.56(6) 6 .
Se6 Cu9 Cu3 60.04(6) . .
Se3 Cu9 Cu3 165.85(10) . .
Cu13 Cu9 Cu3 123.67(5) 6 .
Cu13 Cu9 Cu3 123.67(5) . .
Cu6 Cu9 Cu3 111.47(8) 6 .
Cu6 Cu9 Cu3 111.47(7) . .
Cu8 Cu9 Cu3 61.85(4) . .
Cu8 Cu9 Cu3 61.85(4) 6 .
Se4 Cu9 Cu3 51.57(6) . .
Se8 Cu10 Se9 111.10(7) . 2_554
Se8 Cu10 Se10 126.75(7) . 5_554
Se9 Cu10 Se10 122.14(7) 2_554 5_554
Se8 Cu10 Cu4 82.09(6) . 2_554
Se9 Cu10 Cu4 55.84(5) 2_554 2_554
Se10 Cu10 Cu4 128.40(7) 5_554 2_554
Se8 Cu10 Cu2 140.33(8) . 5_554
Se9 Cu10 Cu2 81.88(6) 2_554 5_554
Se10 Cu10 Cu2 55.57(6) 5_554 5_554
Cu4 Cu10 Cu2 74.90(6) 2_554 5_554
Se8 Cu11 Se7 115.13(6) . 6
Se8 Cu11 Se2 114.75(7) . 5_554
Se7 Cu11 Se2 125.16(6) 6 5_554
Se8 Cu11 Cu14 59.82(5) . .
Se7 Cu11 Cu14 80.24(6) 6 .
Se2 Cu11 Cu14 146.75(8) 5_554 .
Se8 Cu11 Cu1 156.15(9) . 5_554
Se7 Cu11 Cu1 56.21(5) 6 5_554
Se2 Cu11 Cu1 68.96(6) 5_554 5_554
Cu14 Cu11 Cu1 130.72(8) . 5_554
Se8 Cu11 Cu7 119.90(6) . .
Se7 Cu11 Cu7 55.16(4) 6 .
Se2 Cu11 Cu7 113.69(6) 5_554 .
Cu14 Cu11 Cu7 60.11(5) . .
Cu1 Cu11 Cu7 75.37(7) 5_554 .
Se8 Cu11 Cu5 131.95(7) . 2_554
Se7 Cu11 Cu5 101.26(6) 6 2_554
Se2 Cu11 Cu5 57.94(5) 5_554 2_554
Cu14 Cu11 Cu5 99.56(6) . 2_554
Cu1 Cu11 Cu5 71.00(8) 5_554 2_554
Cu7 Cu11 Cu5 58.30(5) . 2_554
Se8 Cu11 Cu4 76.09(5) . 2_554
Se7 Cu11 Cu4 146.78(7) 6 2_554
Se2 Cu11 Cu4 67.59(5) 5_554 2_554
Cu14 Cu11 Cu4 79.66(6) . 2_554
Cu1 Cu11 Cu4 124.18(8) 5_554 2_554
Cu7 Cu11 Cu4 91.80(6) . 2_554
Cu5 Cu11 Cu4 56.83(5) 2_554 2_554
Se1 Cu12 Se5 120.20(6) . .
Se1 Cu12 Cu5 160.07(7) . .
Se5 Cu12 Cu5 57.61(4) . .
Se1 Cu12 Cu7 60.08(5) . .
Se5 Cu12 Cu7 125.79(6) . .
Cu5 Cu12 Cu7 139.06(7) . .
Se1 Cu12 Se4 101.79(5) . .
Se5 Cu12 Se4 136.84(6) . .
Cu5 Cu12 Se4 79.59(5) . .
Cu7 Cu12 Se4 82.32(5) . .
Se1 Cu12 Cu4 101.10(6) . .
Se5 Cu12 Cu4 53.05(4) . .
Cu5 Cu12 Cu4 60.91(5) . .
Cu7 Cu12 Cu4 158.99(6) . .
Se4 Cu12 Cu4 112.57(6) . .
Se1 Cu12 Cu5 117.84(6) . 2_554
Se5 Cu12 Cu5 107.10(6) . 2_554
Cu5 Cu12 Cu5 79.52(6) . 2_554
Cu7 Cu12 Cu5 60.09(5) . 2_554
Se4 Cu12 Cu5 55.08(4) . 2_554
Cu4 Cu12 Cu5 140.43(6) . 2_554
Se1 Cu12 Cu8 53.97(5) . .
Se5 Cu12 Cu8 106.64(6) . .
Cu5 Cu12 Cu8 106.43(6) . .
Cu7 Cu12 Cu8 109.77(6) . .
Se4 Cu12 Cu8 89.35(5) . .
Cu4 Cu12 Cu8 57.91(5) . .
Cu5 Cu12 Cu8 142.91(6) 2_554 .
Se1 Cu12 Cu3 106.04(6) . .
Se5 Cu12 Cu3 104.28(6) . .
Cu5 Cu12 Cu3 59.28(5) . .
Cu7 Cu12 Cu3 128.74(6) . .
Se4 Cu12 Cu3 50.51(4) . .
Cu4 Cu12 Cu3 62.33(5) . .
Cu5 Cu12 Cu3 98.11(5) 2_554 .
Cu8 Cu12 Cu3 58.62(5) . .
P1 Cu13 Se1 118.04(14) . .
P1 Cu13 Se3 119.40(12) . .
Se1 Cu13 Se3 119.14(7) . .
P1 Cu13 Cu6 152.6(2) . .
Se1 Cu13 Cu6 62.09(5) . .
Se3 Cu13 Cu6 57.87(5) . .
P1 Cu13 Cu9 142.7(2) . .
Se1 Cu13 Cu9 87.94(6) . .
Se3 Cu13 Cu9 56.32(5) . .
Cu6 Cu13 Cu9 62.05(6) . .
P1 Cu13 Cu8 112.84(12) . .
Se1 Cu13 Cu8 54.10(5) . .
Se3 Cu13 Cu8 115.59(6) . .
Cu6 Cu13 Cu8 89.71(6) . .
Cu9 Cu13 Cu8 59.37(5) . .
P2 Cu14 Se8 133.25(14) . .
P2 Cu14 Cu11 158.49(14) . .
Se8 Cu14 Cu11 57.79(5) . .
P2 Cu14 Se5 110.85(14) . 2_554
Se8 Cu14 Se5 106.82(7) . 2_554
Cu11 Cu14 Se5 76.11(5) . 2_554
P2 Cu14 Cu7 103.26(14) . .
Se8 Cu14 Cu7 120.94(6) . .
Cu11 Cu14 Cu7 63.18(5) . .
Se5 Cu14 Cu7 54.92(5) 2_554 .
P3 Cu15 Cu6 142.21(7) . 6
P3 Cu15 Cu6 142.21(7) . .
Cu6 Cu15 Cu6 69.22(9) 6 .
P3 Cu15 Cu1 136.4(2) . 5_554
Cu6 Cu15 Cu1 65.60(8) 6 5_554
Cu6 Cu15 Cu1 65.59(8) . 5_554
P3 Cu15 Se3 115.89(15) . .
Cu6 Cu15 Se3 56.50(6) 6 .
Cu6 Cu15 Se3 56.50(6) . .
Cu1 Cu15 Se3 107.75(10) 5_554 .
P3 Cu15 Se7 108.02(9) . .
Cu6 Cu15 Se7 55.67(5) 6 .
Cu6 Cu15 Se7 108.91(8) . .
Cu1 Cu15 Se7 53.31(5) 5_554 .
Se3 Cu15 Se7 110.61(6) . .
P3 Cu15 Se7 108.02(9) . 6
Cu6 Cu15 Se7 108.91(8) 6 6
Cu6 Cu15 Se7 55.67(5) . 6
Cu1 Cu15 Se7 53.31(5) 5_554 6
Se3 Cu15 Se7 110.61(6) . 6
Se7 Cu15 Se7 102.84(9) . 6
C151 P1 C131 115.6(21) . .
C151 P1 C161 116.1(26) . .
C131 P1 C161 32.9(19) . .
C151 P1 C121 41.4(20) . .
C131 P1 C121 110.6(13) . .
C161 P1 C121 135.0(21) . .
C151 P1 C111 58.1(21) . .
C131 P1 C111 100.7(13) . .
C161 P1 C111 75.1(20) . .
C121 P1 C111 99.5(11) . .
C151 P1 C141 95.7(23) . .
C131 P1 C141 69.5(15) . .
C161 P1 C141 102.3(23) . .
C121 P1 C141 57.9(14) . .
C111 P1 C141 145.9(14) . .
C151 P1 Cu13 120.5(19) . .
C131 P1 Cu13 123.8(10) . .
C161 P1 Cu13 112.6(19) . .
C121 P1 Cu13 111.7(8) . .
C111 P1 Cu13 106.9(8) . .
C141 P1 Cu13 105.3(12) . .
C231 P2 C211 102.9(11) . .
C231 P2 C221 106.1(11) . .
C211 P2 C221 108.4(11) . .
C231 P2 Cu14 114.3(7) . .
C211 P2 Cu14 112.6(8) . .
C221 P2 Cu14 111.8(8) . .
C311 P3 C311 49.5(29) 6 .
C311 P3 C331 123.7(33) 6 .
C311 P3 C331 103.8(34) . .
C311 P3 C331 103.8(34) 6 6
C311 P3 C331 123.7(33) . 6
C331 P3 C331 44.3(55) . 6
C311 P3 C321 100.8(25) 6 6
C311 P3 C321 52.6(24) . 6
C331 P3 C321 64.3(33) . 6
C331 P3 C321 106.3(34) 6 6
C311 P3 C321 52.6(24) 6 .
C311 P3 C321 100.8(25) . .
C331 P3 C321 106.3(34) . .
C331 P3 C321 64.3(33) 6 .
C321 P3 C321 143.0(39) 6 .
C311 P3 Cu15 112.4(14) 6 .
C311 P3 Cu15 112.4(14) . .
C331 P3 Cu15 123.9(30) . .
C331 P3 Cu15 123.9(30) 6 .
C321 P3 Cu15 107.1(19) 6 .
C321 P3 Cu15 107.1(19) . .
C14 C11 C13 113.7(13) . .
C14 C11 C12 111.2(12) . .
C13 C11 C12 113.2(14) . .
C14 C11 Se8 107.9(10) . .
C13 C11 Se8 103.2(10) . .
C12 C11 Se8 107.0(10) . .
C24B C21 C24A 42.0(16) . .
C24B C21 C22A 146.6(20) . .
C24A C21 C22A 112.1(18) . .
C24B C21 C23B 114.0(23) . .
C24A C21 C23B 137.5(21) . .
C22A C21 C23B 68.6(21) . .
C24B C21 C22B 109.4(21) . .
C24A C21 C22B 67.7(19) . .
C22A C21 C22B 48.1(18) . .
C23B C21 C22B 113.4(23) . .
C24B C21 C23A 73.6(19) . .
C24A C21 C23A 109.4(19) . .
C22A C21 C23A 108.8(19) . .
C23B C21 C23A 42.2(18) . .
C22B C21 C23A 142.4(21) . .
C24B C21 Se9 103.9(15) . .
C24A C21 Se9 114.3(13) . .
C22A C21 Se9 107.4(14) . .
C23B C21 Se9 105.0(16) . .
C22B C21 Se9 110.6(16) . .
C23A C21 Se9 104.6(14) . .
C22B C22A C21 66.4(24) . .
C22B C22A C23B 118.5(33) . .
C21 C22A C23B 55.8(18) . .
C22A C22B C21 65.5(24) . .
C22A C22B C24A 116.7(32) . .
C21 C22B C24A 55.4(17) . .
C23B C23A C21 65.4(29) . .
C23B C23A C24B 114.1(36) . .
C21 C23A C24B 50.7(15) . .
C23A C23B C21 72.5(30) . .
C23A C23B C22A 125.2(38) . .
C21 C23B C22A 55.7(18) . .
C24B C24A C21 68.5(24) . .
C24B C24A C22B 125.0(32) . .
C21 C24A C22B 56.9(17) . .
C24A C24B C21 69.5(25) . .
C24A C24B C23A 117.2(32) . .
C21 C24B C23A 55.7(17) . .
C33 C31 C32 109.7(14) . .
C33 C31 C32 109.7(14) . 6
C32 C31 C32 115.1(24) . 6
C33 C31 Se10 109.4(17) . .
C32 C31 Se10 106.4(13) . .
C32 C31 Se10 106.4(13) 6 .
C153 C111 C113 117.5(36) . .
C153 C111 C112 5.2(30) . .
C113 C111 C112 115.8(25) . .
C153 C111 C151 69.2(33) . .
C113 C111 C151 161.1(30) . .
C112 C111 C151 69.1(23) . .
C153 C111 P1 111.2(31) . .
C113 C111 P1 110.7(21) . .
C112 C111 P1 108.3(17) . .
C151 C111 P1 52.1(19) . .
C153 C112 C111 8.9(51) . .
C153 C112 C151 59.4(57) . .
C111 C112 C151 59.0(21) . .
C111 C113 C162 92.9(37) . .
C151 C121 C122 173.6(36) . .
C151 C121 C123 77.6(32) . .
C122 C121 C123 104.6(25) . .
C151 C121 P1 64.4(29) . .
C122 C121 P1 109.8(19) . .
C123 C121 P1 122.3(19) . .
C151 C121 C141 127.6(34) . .
C122 C121 C141 46.1(20) . .
C123 C121 C141 107.7(22) . .
P1 C121 C141 70.2(16) . .
C151 C121 C142 172.2(36) . .
C122 C121 C142 2.9(24) . .
C123 C121 C142 107.5(24) . .
P1 C121 C142 107.8(19) . .
C141 C121 C142 45.6(19) . .
C142 C122 C141 92.4(79) . .
C142 C122 C121 169.0(92) . .
C141 C122 C121 85.5(29) . .
C152 C123 C121 100.1(45) . .
C152 C123 C151 59.0(41) . .
C121 C123 C151 43.1(21) . .
C161 C131 C163 75.0(48) . .
C161 C131 C133 86.1(41) . .
C163 C131 C133 112.0(40) . .
C161 C131 C132 53.7(39) . .
C163 C131 C132 22.9(35) . .
C133 C131 C132 99.4(30) . .
C161 C131 P1 74.5(38) . .
C163 C131 P1 116.8(38) . .
C133 C131 P1 119.5(22) . .
C132 C131 P1 111.9(27) . .
C163 C132 C161 87.9(97) . .
C163 C132 C131 50.3(85) . .
C161 C132 C131 40.0(32) . .
C163 C132 C162 131.1(100) . .
C161 C132 C162 47.7(39) . .
C131 C132 C162 87.6(34) . .
C131 C133 C161 33.9(21) . .
C122 C141 C143 128.6(44) . .
C122 C141 C142 20.2(22) . .
C143 C141 C142 110.5(43) . .
C122 C141 C121 48.5(21) . .
C143 C141 C121 148.9(42) . .
C142 C141 C121 68.4(27) . .
C122 C141 P1 95.2(27) . .
C143 C141 P1 105.3(37) . .
C142 C141 P1 111.3(31) . .
C121 C141 P1 52.0(14) . .
C122 C142 C141 67.3(74) . .
C122 C142 C121 8.1(68) . .
C141 C142 C121 66.0(26) . .
C143 C143 C141 163.1(32) 6 .
C121 C151 C152 94.2(46) . .
C121 C151 P1 74.2(30) . .
C152 C151 P1 123.6(42) . .
C121 C151 C153 158.6(49) . .
C152 C151 C153 106.6(43) . .
P1 C151 C153 97.6(33) . .
C121 C151 C123 59.3(29) . .
C152 C151 C123 36.6(27) . .
P1 C151 C123 116.8(33) . .
C153 C151 C123 139.4(39) . .
C121 C151 C111 144.0(44) . .
C152 C151 C111 105.0(41) . .
P1 C151 C111 69.8(23) . .
C153 C151 C111 34.5(20) . .
C123 C151 C111 140.2(36) . .
C121 C151 C112 147.0(43) . .
C152 C151 C112 109.4(40) . .
P1 C151 C112 108.6(32) . .
C153 C151 C112 17.7(17) . .
C123 C151 C112 134.0(34) . .
C111 C151 C112 51.9(20) . .
C123 C152 C151 84.3(50) . .
C112 C153 C111 165.9(81) . .
C112 C153 C151 102.9(65) . .
C111 C153 C151 76.3(35) . .
C131 C161 C132 86.4(52) . .
C131 C161 C162 174.0(68) . .
C132 C161 C162 89.8(56) . .
C131 C161 C163 60.7(44) . .
C132 C161 C163 27.1(36) . .
C162 C161 C163 114.7(62) . .
C131 C161 P1 72.6(39) . .
C132 C161 P1 129.3(48) . .
C162 C161 P1 106.5(45) . .
C163 C161 P1 108.6(46) . .
C131 C161 C133 60.0(37) . .
C132 C161 C133 100.8(44) . .
C162 C161 C133 125.5(49) . .
C163 C161 C133 93.6(45) . .
P1 C161 C133 106.8(34) . .
C161 C162 C113 120.0(57) . .
C161 C162 C132 42.5(34) . .
C113 C162 C132 161.1(53) . .
C132 C163 C131 106.8(100) . .
C132 C163 C161 65.0(85) . .
C131 C163 C161 44.3(35) . .
C213 C211 C212 119.2(25) . .
C213 C211 P2 112.8(23) . .
C212 C211 P2 114.3(16) . .
C223 C221 C222 37.2(21) . .
C223 C221 P2 113.3(20) . .
C222 C221 P2 92.2(22) . .
C223 C222 C221 54.4(33) . .
C222 C223 C221 88.4(42) . .
C232 C231 C233 107.8(20) . .
C232 C231 P2 114.2(17) . .
C233 C231 P2 113.7(17) . .
C312 C311 C311 59.3(16) . 6
C312 C311 C313 113.0(53) . .
C311 C311 C313 94.3(43) 6 .
C312 C311 C321 155.5(41) . 6
C311 C311 C321 127.4(18) 6 6
C313 C311 C321 90.9(51) . 6
C312 C311 C323 139.4(34) . 6
C311 C311 C323 161.3(26) 6 6
C313 C311 C323 77.6(47) . 6
C321 C311 C323 37.5(27) 6 6
C312 C311 P3 108.8(25) . .
C311 C311 P3 65.2(14) 6 .
C313 C311 P3 112.2(49) . .
C321 C311 P3 64.5(17) 6 .
C323 C311 P3 101.9(30) 6 .
C311 C312 C311 61.4(32) . 6
C311 C313 C313 85.7(43) . 6
C323 C321 C322 104.5(50) . .
C323 C321 C311 75.0(57) . 6
C322 C321 C311 163.2(51) . 6
C323 C321 P3 137.8(65) . .
C322 C321 P3 115.1(37) . .
C311 C321 P3 62.9(16) 6 .
C323 C321 C333 130.9(55) . 6
C322 C321 C333 29.4(26) . 6
C311 C321 C333 154.1(29) 6 6
P3 C321 C333 91.2(29) . 6
C333 C322 C321 106.8(54) 6 .
C321 C323 C311 67.6(50) . 6
C331 C331 C332 62.6(32) 6 .
C331 C331 C333 145.5(35) 6 .
C332 C331 C333 94.5(54) . .
C331 C331 P3 67.9(27) 6 .
C332 C331 P3 104.9(51) . .
C333 C331 P3 96.7(37) . .
C331 C332 C331 54.7(64) . 6
C322 C333 C331 105.0(63) 6 .
C322 C333 C321 43.8(39) 6 6
C331 C333 C321 62.2(35) . 6
C3 O1 C 125.8(54) . .
C2 C O1 133.0(60) . .
O1 C3 C4 114.8(54) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Se1 Cu8 2.386(2) .
Se1 Cu13 2.436(2) .
Se1 Cu12 2.468(2) .
Se1 Cu7 2.519(2) .
Se1 Cu6 2.573(2) .
Se2 Cu11 2.4505(15) 5_554
Se2 Cu11 2.4506(15) 2_554
Se2 Cu2 2.518(2) .
Se2 Cu3 2.520(2) .
Se2 Cu5 2.522(2) 6
Se2 Cu5 2.522(2) .
Se2 Cu1 2.875(3) .
Se3 Cu9 2.440(2) .
Se3 Cu6 2.461(2) 6
Se3 Cu6 2.461(2) .
Se3 Cu13 2.537(2) 6
Se3 Cu13 2.537(2) .
Se3 Cu15 2.631(3) .
Se4 Cu3 2.388(2) .
Se4 Cu5 2.462(2) 5_554
Se4 Cu5 2.462(2) 2_554
Se4 Cu12 2.5947(13) 6
Se4 Cu12 2.5947(13) .
Se4 Cu9 2.718(2) .
Se5 Cu4 2.347(2) .
Se5 Cu7 2.406(2) 2_554
Se5 Cu5 2.4484(14) .
Se5 Cu12 2.528(2) .
Se5 Cu14 2.584(2) 2_554
Se6 Cu2 2.352(2) .
Se6 Cu9 2.362(2) .
Se6 Cu8 2.4522(14) 6
Se6 Cu8 2.4523(14) .
Se6 Cu3 2.593(2) .
Se7 Cu1 2.393(2) 5_554
Se7 Cu7 2.398(2) 6
Se7 Cu11 2.446(2) 6
Se7 Cu6 2.470(2) 6
Se7 Cu15 2.714(2) .
Se8 C11 2.024(14) .
Se8 Cu10 2.394(2) .
Se8 Cu11 2.424(2) .
Se8 Cu14 2.476(2) .
Se9 C21 2.057(13) .
Se9 Cu4 2.370(2) .
Se9 Cu10 2.446(2) 2_554
Se9 Cu8 2.509(2) .
Se10 C31 2.02(2) .
Se10 Cu2 2.379(2) .
Se10 Cu10 2.454(2) 5_554
Se10 Cu10 2.454(2) 2_554
Cu1 Se7 2.392(2) 2_554
Cu1 Se7 2.393(2) 5_554
Cu1 Cu15 2.616(3) 5_554
Cu1 Cu11 2.622(2) 5_554
Cu1 Cu11 2.622(2) 2_554
Cu1 Cu6 2.808(3) 5_554
Cu1 Cu6 2.808(3) 2_554
Cu2 Cu3 2.508(2) .
Cu2 Cu10 2.638(2) 5_554
Cu2 Cu10 2.638(2) 2_554
Cu3 Cu5 2.744(2) 6
Cu3 Cu5 2.744(2) .
Cu3 Cu9 2.772(3) .
Cu3 Cu8 2.801(2) .
Cu3 Cu8 2.801(2) 6
Cu3 Cu4 2.939(2) 6
Cu3 Cu4 2.939(2) .
Cu3 Cu12 2.952(2) 6
Cu4 Cu10 2.607(2) 2_554
Cu4 Cu8 2.650(2) .
Cu4 Cu5 2.673(2) .
Cu4 Cu12 2.714(2) .
Cu4 Cu11 2.880(2) 2_554
Cu5 Se4 2.462(2) 5_554
Cu5 Cu12 2.553(2) .
Cu5 Cu5 2.620(2) 6
Cu5 Cu7 2.650(2) 2_554
Cu5 Cu12 2.724(2) 2_554
Cu5 Cu11 2.731(2) 2_554
Cu6 Se7 2.470(2) 6
Cu6 Cu7 2.485(2) .
Cu6 Cu13 2.550(2) .
Cu6 Cu15 2.568(2) .
Cu6 Cu9 2.670(2) .
Cu6 Cu1 2.808(3) 5_554
Cu6 Cu6 2.918(3) 6
Cu7 Se7 2.398(2) 6
Cu7 Se5 2.406(2) 2_554
Cu7 Cu12 2.563(2) .
Cu7 Cu14 2.633(2) .
Cu7 Cu5 2.650(2) 2_554
Cu7 Cu11 2.710(2) .
Cu8 Cu9 2.676(2) .
Cu8 Cu12 2.759(2) .
Cu8 Cu13 2.770(2) .
Cu9 Cu13 2.629(2) 6
Cu9 Cu13 2.629(2) .
Cu9 Cu6 2.670(2) 6
Cu9 Cu8 2.676(2) 6
Cu10 Se9 2.446(2) 2_554
Cu10 Se10 2.454(2) 5_554
Cu10 Cu4 2.607(2) 2_554
Cu10 Cu2 2.638(2) 5_554
Cu11 Se7 2.446(2) 6
Cu11 Se2 2.4505(15) 5_554
Cu11 Cu14 2.538(2) .
Cu11 Cu1 2.622(2) 5_554
Cu11 Cu5 2.731(2) 2_554
Cu11 Cu4 2.880(2) 2_554
Cu12 Cu5 2.724(2) 2_554
Cu13 P1 2.233(3) .
Cu14 P2 2.235(4) .
Cu14 Se5 2.584(2) 2_554
Cu15 P3 2.227(4) .
Cu15 Cu6 2.568(2) 6
Cu15 Cu1 2.616(3) 5_554
Cu15 Se7 2.714(2) 6
P1 C151 1.70(5) .
P1 C131 1.79(3) .
P1 C161 1.81(6) .
P1 C121 1.81(3) .
P1 C111 2.02(3) .
P1 C141 2.16(5) .
P2 C231 1.84(2) .
P2 C211 1.87(3) .
P2 C221 1.91(3) .
P3 C311 1.90(3) 6
P3 C311 1.90(3) .
P3 C331 1.91(3) .
P3 C331 1.91(3) 6
P3 C321 1.93(3) 6
P3 C321 1.93(3) .
C11 C14 1.50(2) .
C11 C13 1.54(2) .
C11 C12 1.55(2) .
C21 C24B 1.48(4) .
C21 C24A 1.48(3) .
C21 C22A 1.50(3) .
C21 C23B 1.50(4) .
C21 C22B 1.51(4) .
C21 C23A 1.58(4) .
C22A C22B 1.23(4) .
C22A C23B 1.69(5) .
C22B C24A 1.67(5) .
C23A C23B 1.11(5) .
C23A C24B 1.83(5) .
C24A C24B 1.06(4) .
C31 C33 1.49(4) .
C31 C32 1.50(3) .
C31 C32 1.50(3) 6
C111 C153 1.07(5) .
C111 C113 1.50(5) .
C111 C112 1.68(4) .
C111 C151 1.83(6) .
C112 C153 0.62(5) .
C112 C151 1.99(6) .
C113 C162 1.54(7) .
C121 C151 1.25(6) .
C121 C122 1.46(4) .
C121 C123 1.57(4) .
C121 C141 1.95(5) .
C121 C142 1.98(6) .
C122 C142 0.53(5) .
C122 C141 1.41(5) .
C123 C152 1.07(6) .
C123 C151 1.78(7) .
C131 C161 1.02(6) .
C131 C163 1.27(7) .
C131 C133 1.58(5) .
C131 C132 1.59(7) .
C132 C163 0.64(8) .
C132 C161 1.28(7) .
C132 C162 1.90(9) .
C133 C161 1.82(7) .
C141 C143 1.49(7) .
C141 C142 1.52(6) .
C143 C143 1.41(13) 6
C151 C152 1.53(8) .
C151 C153 1.76(7) .
C161 C162 1.40(8) .
C161 C163 1.41(8) .
C211 C213 1.46(4) .
C211 C212 1.54(3) .
C221 C223 1.53(4) .
C221 C222 1.87(6) .
C222 C223 1.13(6) .
C231 C232 1.52(3) .
C231 C233 1.62(4) .
C311 C312 1.56(5) .
C311 C311 1.59(9) 6
C311 C313 1.64(13) .
C311 C321 1.70(7) 6
C311 C323 1.77(8) 6
C312 C311 1.56(5) 6
C313 C313 1.83(22) 6
C321 C323 1.12(8) .
C321 C322 1.48(7) .
C321 C311 1.70(7) 6
C321 C333 2.05(10) 6
C322 C333 1.05(7) 6
C323 C311 1.77(8) 6
C331 C331 1.44(17) 6
C331 C332 1.56(10) .
C331 C333 1.89(10) .
C332 C331 1.56(10) 6
C333 C322 1.05(7) 6
C333 C321 2.05(10) 6
O1 C3 1.26(6) .
O1 C 1.48(6) .
C C2 1.43(7) .
C3 C4 1.64(8) .
