#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:53:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179819 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/15/7011582.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_7011582
loop_
_publ_author_name
'Lobana, Tarlok S.'
'Hundal, Geeta'
_publ_section_title
;
 Metal--selenium interactions: synthesis and crystal structure of an
 unusual coordination polymer
 [tetraiodo-bis{1,2-bis(diphenylselenophosphinyl)ethane}tetracopper(i)]n
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2203
_journal_page_last               2206
_journal_paper_doi               10.1039/b201871n
_journal_year                    2002
_chemical_formula_sum            'C26 H24 Cu2 I2 P2 Se2'
_chemical_formula_weight         937.19
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                94.62(3)
_cell_angle_beta                 95.43(3)
_cell_angle_gamma                107.88(3)
_cell_formula_units_Z            2
_cell_length_a                   10.617(2)
_cell_length_b                   10.753(2)
_cell_length_c                   13.466(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1446.7(6)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4110
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    6.245
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.454
_refine_diff_density_min         -1.704
_refine_diff_density_rms         0.317
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.112
_refine_ls_goodness_of_fit_obs   0.953
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_restrained_S_obs      0.953
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_obs          0.0382
_refine_ls_shift/esd_max         1.996
_refine_ls_shift/esd_mean        0.204
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w==1/[σ²(Fo²)+(0.0764P)²+1.7553P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1413
_refine_ls_wR_factor_obs         0.1021
_reflns_number_observed          3003
_reflns_number_total             3809
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b201871n.txt
_cod_data_source_block           CUPOLY
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w==1/[\s^2^(Fo^2^)+(0.0764P)^2^+1.7553P] where P==(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w==1/[\s^2^(Fo^2^)+(0.0764P)^2^+1.7553P] where P==(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1446.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7011582
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_group
Cu1 Cu 0.1107(2) -0.5374(2) 0.03571(10) 0.0818(7) Uani 1 d . .
Cu2 Cu 0.1824(2) -0.45284(13) 0.21686(9) 0.0514(4) Uani 1 d . .
P1 P 0.5098(3) -0.3382(2) 0.1181(2) 0.0271(7) Uani 1 d . .
P2 P 0.1487(3) -0.3226(2) 0.4611(2) 0.0282(7) Uani 1 d . .
Se1 Se 0.31581(11) -0.31324(8) 0.09462(7) 0.0338(3) Uani 1 d . .
Se2 Se 0.27585(12) -0.40809(10) 0.38701(7) 0.0414(3) Uani 1 d . .
I1 I 0.17071(8) -0.69758(6) 0.15064(5) 0.0464(3) Uani 1 d . .
I2 I -0.05276(8) -0.42375(8) 0.15202(5) 0.0504(3) Uani 1 d . .
C1 C 0.6291(12) -0.2037(8) 0.0711(6) 0.033(3) Uani 1 d . .
C2 C 0.7623(12) -0.1616(9) 0.1118(7) 0.040(3) Uani 1 d . .
H2A H 0.7914(12) -0.2040(9) 0.1624(7) 0.048 Uiso 1 calc R .
C3 C 0.8535(12) -0.0541(10) 0.0763(8) 0.047(3) Uani 1 d . .
H3A H 0.9437(12) -0.0267(10) 0.1009(8) 0.057 Uiso 1 calc R .
C4 C 0.8047(14) 0.0090(10) 0.0039(8) 0.049(4) Uani 1 d . .
H4A H 0.8626(14) 0.0828(10) -0.0178(8) 0.059 Uiso 1 calc R .
C5 C 0.6736(13) -0.0341(9) -0.0367(8) 0.041(3) Uani 1 d . .
H5A H 0.6439(13) 0.0082(9) -0.0871(8) 0.050 Uiso 1 calc R .
C6 C 0.5866(10) -0.1391(8) -0.0030(7) 0.031(3) Uani 1 d . .
H6A H 0.4974(10) -0.1676(8) -0.0303(7) 0.037 Uiso 1 calc R .
C7 C 0.5697(11) -0.3313(9) 0.2492(6) 0.035(3) Uani 1 d . .
C8 C 0.5947(12) -0.2143(10) 0.3108(7) 0.048(3) Uani 1 d . .
H8A H 0.5817(12) -0.1412(10) 0.2845(7) 0.057 Uiso 1 calc R .
C9 C 0.6391(12) -0.2076(13) 0.4117(7) 0.056(4) Uani 1 d . .
H9A H 0.6638(12) -0.1273(13) 0.4518(7) 0.068 Uiso 1 calc R .
C10 C 0.6470(13) -0.3171(15) 0.4533(8) 0.063(4) Uani 1 d . .
H10A H 0.6734(13) -0.3121(15) 0.5217(8) 0.075 Uiso 1 calc R .
C11 C 0.6159(14) -0.4343(14) 0.3936(8) 0.066(4) Uani 1 d . .
H11A H 0.6201(14) -0.5091(14) 0.4220(8) 0.079 Uiso 1 calc R .
C12 C 0.5785(12) -0.4427(11) 0.2920(8) 0.046(3) Uani 1 d . .
H12A H 0.5592(12) -0.5225(11) 0.2520(8) 0.056 Uiso 1 calc R .
C13 C 0.1110(13) -0.1912(8) 0.4015(6) 0.036(3) Uani 1 d . .
C14 C 0.2064(14) -0.1155(11) 0.3455(9) 0.062(4) Uani 1 d . .
H14A H 0.2831(14) -0.1369(11) 0.3357(9) 0.075 Uiso 1 calc R .
C15 C 0.1832(17) -0.0082(12) 0.3054(9) 0.072(5) Uani 1 d . .
H15A H 0.2463(17) 0.0438(12) 0.2698(9) 0.086 Uiso 1 calc R .
C16 C 0.0705(15) 0.0215(10) 0.3173(8) 0.052(4) Uani 1 d . .
H16A H 0.0559(15) 0.0929(10) 0.2892(8) 0.063 Uiso 1 calc R .
C17 C -0.0252(14) -0.0551(11) 0.3722(11) 0.064(4) Uani 1 d . .
H17A H -0.1029(14) -0.0352(11) 0.3811(11) 0.077 Uiso 1 calc R .
C18 C -0.0009(15) -0.1586(11) 0.4117(9) 0.056(4) Uani 1 d . .
H18A H -0.0642(15) -0.2098(11) 0.4475(9) 0.067 Uiso 1 calc R .
C19 C 0.2251(10) -0.2529(8) 0.5885(6) 0.028(3) Uani 1 d . .
C20 C 0.3599(12) -0.1945(12) 0.6058(8) 0.054(4) Uani 1 d . .
H20A H 0.4120(12) -0.1925(12) 0.5539(8) 0.065 Uiso 1 calc R .
C21 C 0.4182(16) -0.1378(15) 0.7025(11) 0.086(5) Uani 1 d . .
H21A H 0.5102(16) -0.0988(15) 0.7154(11) 0.103 Uiso 1 calc R .
C22 C 0.3418(18) -0.1388(13) 0.7784(9) 0.072(5) Uani 1 d . .
H22A H 0.3819(18) -0.1011(13) 0.8428(9) 0.087 Uiso 1 calc R .
C23 C 0.2042(16) -0.1961(11) 0.7598(8) 0.061(4) Uani 1 d . .
H23A H 0.1512(16) -0.1953(11) 0.8109(8) 0.073 Uiso 1 calc R .
C24 C 0.1483(12) -0.2534(10) 0.6654(7) 0.046(3) Uani 1 d . .
H24A H 0.0565(12) -0.2937(10) 0.6526(7) 0.055 Uiso 1 calc R .
C25 C 0.5178(11) -0.4919(8) 0.0576(6) 0.031(3) Uani 1 d . .
H25A H 0.6073(11) -0.4964(8) 0.0731(6) 0.037 Uiso 1 calc R .
H25B H 0.4570(11) -0.5644(8) 0.0848(6) 0.037 Uiso 1 calc R .
C26 C -0.0108(10) -0.4431(7) 0.4720(7) 0.033(3) Uani 1 d . .
H26A H -0.0643(10) -0.4013(7) 0.5085(7) 0.040 Uiso 1 calc R .
H26B H -0.0585(10) -0.4781(7) 0.4056(7) 0.040 Uiso 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
Se Se -0.0929 2.2259 '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
Cu2 Cu1 I2 168.86(8) . 2_545 ?
Cu2 Cu1 I1 63.42(5) . . ?
I2 Cu1 I1 126.71(7) 2_545 . ?
Cu2 Cu1 Se1 58.55(6) . . ?
I2 Cu1 Se1 111.84(8) 2_545 . ?
I1 Cu1 Se1 101.65(7) . . ?
Cu2 Cu1 Cu1 110.04(10) . 2_545 ?
I2 Cu1 Cu1 65.82(6) 2_545 2_545 ?
I1 Cu1 Cu1 140.23(13) . 2_545 ?
Se1 Cu1 Cu1 106.98(9) . 2_545 ?
Cu2 Cu1 I2 58.96(6) . . ?
I2 Cu1 I2 117.84(7) 2_545 . ?
I1 Cu1 I2 103.21(6) . . ?
Se1 Cu1 I2 87.80(6) . . ?
Cu1 Cu1 I2 52.02(6) 2_545 . ?
Se2 Cu2 Cu1 167.10(8) . . ?
Se2 Cu2 Se1 116.42(7) . . ?
Cu1 Cu2 Se1 64.88(6) . . ?
Se2 Cu2 I1 108.33(6) . . ?
Cu1 Cu2 I1 59.94(5) . . ?
Se1 Cu2 I1 103.57(6) . . ?
Se2 Cu2 I2 123.06(7) . . ?
Cu1 Cu2 I2 68.26(7) . . ?
Se1 Cu2 I2 96.20(6) . . ?
I1 Cu2 I2 107.23(6) . . ?
C7 P1 C1 105.8(4) . . ?
C7 P1 C25 106.2(4) . . ?
C1 P1 C25 108.7(4) . . ?
C7 P1 Se1 113.1(4) . . ?
C1 P1 Se1 108.6(3) . . ?
C25 P1 Se1 114.1(4) . . ?
C13 P2 C19 106.3(4) . . ?
C13 P2 C26 106.3(5) . . ?
C19 P2 C26 106.6(4) . . ?
C13 P2 Se2 114.9(4) . . ?
C19 P2 Se2 110.2(4) . . ?
C26 P2 Se2 112.1(3) . . ?
P1 Se1 Cu2 104.39(8) . . ?
P1 Se1 Cu1 115.15(8) . . ?
Cu2 Se1 Cu1 56.57(5) . . ?
P2 Se2 Cu2 104.99(9) . . ?
Cu1 I1 Cu2 56.63(5) . . ?
Cu1 I2 Cu2 113.93(7) 2_545 . ?
Cu1 I2 Cu1 62.16(7) 2_545 . ?
Cu2 I2 Cu1 52.78(5) . . ?
C2 C1 C6 119.7(9) . . ?
C2 C1 P1 120.5(7) . . ?
C6 C1 P1 119.8(8) . . ?
C1 C2 C3 119.8(10) . . ?
C4 C3 C2 118.0(11) . . ?
C5 C4 C3 121.8(10) . . ?
C6 C5 C4 119.8(10) . . ?
C5 C6 C1 120.9(10) . . ?
C8 C7 C12 119.1(9) . . ?
C8 C7 P1 118.5(7) . . ?
C12 C7 P1 122.1(7) . . ?
C9 C8 C7 119.4(11) . . ?
C8 C9 C10 121.0(11) . . ?
C11 C10 C9 119.6(10) . . ?
C10 C11 C12 120.8(11) . . ?
C11 C12 C7 119.9(11) . . ?
C18 C13 C14 118.7(10) . . ?
C18 C13 P2 123.2(8) . . ?
C14 C13 P2 118.0(11) . . ?
C15 C14 C13 118.6(14) . . ?
C16 C15 C14 121.0(12) . . ?
C15 C16 C17 120.2(11) . . ?
C18 C17 C16 118.2(14) . . ?
C13 C18 C17 123.2(12) . . ?
C20 C19 C24 120.2(9) . . ?
C20 C19 P2 118.8(7) . . ?
C24 C19 P2 121.0(8) . . ?
C19 C20 C21 119.0(11) . . ?
C22 C21 C20 120.6(14) . . ?
C21 C22 C23 120.2(12) . . ?
C24 C23 C22 118.7(12) . . ?
C23 C24 C19 121.3(11) . . ?
C25 C25 P1 113.1(8) 2_645 . ?
C26 C26 P2 110.3(10) 2_546 . ?
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
Cu1 Cu2 2.495(2) . ?
Cu1 I2 2.514(2) 2_545 ?
Cu1 I1 2.585(2) . ?
Cu1 Se1 2.706(2) . ?
Cu1 Cu1 2.820(4) 2_545 ?
Cu1 I2 2.910(2) . ?
Cu2 Se2 2.359(2) . ?
Cu2 Se1 2.550(2) . ?
Cu2 I1 2.671(2) . ?
Cu2 I2 2.684(2) . ?
P1 C7 1.806(9) . ?
P1 C1 1.809(10) . ?
P1 C25 1.812(9) . ?
P1 Se1 2.155(3) . ?
P2 C13 1.808(10) . ?
P2 C19 1.822(8) . ?
P2 C26 1.816(10) . ?
P2 Se2 2.129(3) . ?
I2 Cu1 2.514(2) 2_545 ?
C1 C2 1.387(15) . ?
C1 C6 1.378(12) . ?
C2 C3 1.411(14) . ?
C3 C4 1.38(2) . ?
C4 C5 1.37(2) . ?
C5 C6 1.362(13) . ?
C7 C8 1.388(13) . ?
C7 C12 1.395(13) . ?
C8 C9 1.384(14) . ?
C9 C10 1.37(2) . ?
C10 C11 1.37(2) . ?
C11 C12 1.375(14) . ?
C13 C18 1.35(2) . ?
C13 C14 1.41(2) . ?
C14 C15 1.39(2) . ?
C15 C16 1.35(2) . ?
C16 C17 1.41(2) . ?
C17 C18 1.35(2) . ?
C19 C20 1.363(14) . ?
C19 C24 1.377(14) . ?
C20 C21 1.39(2) . ?
C21 C22 1.36(2) . ?
C22 C23 1.39(2) . ?
C23 C24 1.362(14) . ?
C25 C25 1.54(2) 2_645 ?
C26 C26 1.55(2) 2_546 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I2 Cu1 Cu2 Se2 -130.8(5) 2_545 . . . ?
I1 Cu1 Cu2 Se2 25.9(4) . . . . ?
Se1 Cu1 Cu2 Se2 -98.9(4) . . . . ?
Cu1 Cu1 Cu2 Se2 163.0(4) 2_545 . . . ?
I2 Cu1 Cu2 Se2 152.7(4) . . . . ?
I2 Cu1 Cu2 Se1 -31.9(5) 2_545 . . . ?
I1 Cu1 Cu2 Se1 124.80(7) . . . . ?
Se1 Cu1 Cu2 Se1 0.0 . . . . ?
Cu1 Cu1 Cu2 Se1 -98.12(10) 2_545 . . . ?
I2 Cu1 Cu2 Se1 -108.39(5) . . . . ?
I2 Cu1 Cu2 I1 -156.7(6) 2_545 . . . ?
I1 Cu1 Cu2 I1 0.0 . . . . ?
Se1 Cu1 Cu2 I1 -124.80(7) . . . . ?
Cu1 Cu1 Cu2 I1 137.08(13) 2_545 . . . ?
I2 Cu1 Cu2 I1 126.81(7) . . . . ?
I2 Cu1 Cu2 I2 76.4(6) 2_545 . . . ?
I1 Cu1 Cu2 I2 -126.81(7) . . . . ?
Se1 Cu1 Cu2 I2 108.39(5) . . . . ?
Cu1 Cu1 Cu2 I2 10.27(9) 2_545 . . . ?
I2 Cu1 Cu2 I2 0.0 . . . . ?
C7 P1 Se1 Cu2 -42.9(3) . . . . ?
C1 P1 Se1 Cu2 -160.0(3) . . . . ?
C25 P1 Se1 Cu2 78.6(3) . . . . ?
C7 P1 Se1 Cu1 -102.3(3) . . . . ?
C1 P1 Se1 Cu1 140.5(3) . . . . ?
C25 P1 Se1 Cu1 19.1(3) . . . . ?
Se2 Cu2 Se1 P1 54.86(10) . . . . ?
Cu1 Cu2 Se1 P1 -110.88(9) . . . . ?
I1 Cu2 Se1 P1 -63.90(9) . . . . ?
I2 Cu2 Se1 P1 -173.33(7) . . . . ?
Se2 Cu2 Se1 Cu1 165.74(10) . . . . ?
Cu1 Cu2 Se1 Cu1 0.0 . . . . ?
I1 Cu2 Se1 Cu1 46.98(6) . . . . ?
I2 Cu2 Se1 Cu1 -62.45(6) . . . . ?
Cu2 Cu1 Se1 P1 91.09(9) . . . . ?
I2 Cu1 Se1 P1 -95.24(10) 2_545 . . . ?
I1 Cu1 Se1 P1 42.51(10) . . . . ?
Cu1 Cu1 Se1 P1 -165.42(10) 2_545 . . . ?
I2 Cu1 Se1 P1 145.54(8) . . . . ?
Cu2 Cu1 Se1 Cu2 0.0 . . . . ?
I2 Cu1 Se1 Cu2 173.67(10) 2_545 . . . ?
I1 Cu1 Se1 Cu2 -48.58(6) . . . . ?
Cu1 Cu1 Se1 Cu2 103.49(11) 2_545 . . . ?
I2 Cu1 Se1 Cu2 54.46(6) . . . . ?
C13 P2 Se2 Cu2 -48.9(4) . . . . ?
C19 P2 Se2 Cu2 -168.9(3) . . . . ?
C26 P2 Se2 Cu2 72.5(3) . . . . ?
Cu1 Cu2 Se2 P2 -156.5(4) . . . . ?
Se1 Cu2 Se2 P2 110.82(9) . . . . ?
I1 Cu2 Se2 P2 -133.05(9) . . . . ?
I2 Cu2 Se2 P2 -7.04(11) . . . . ?
Cu2 Cu1 I1 Cu2 0.0 . . . . ?
I2 Cu1 I1 Cu2 174.54(14) 2_545 . . . ?
Se1 Cu1 I1 Cu2 45.67(6) . . . . ?
Cu1 Cu1 I1 Cu2 -89.88(14) 2_545 . . . ?
I2 Cu1 I1 Cu2 -44.80(6) . . . . ?
Se2 Cu2 I1 Cu1 -174.10(10) . . . . ?
Cu1 Cu2 I1 Cu1 0.0 . . . . ?
Se1 Cu2 I1 Cu1 -49.89(7) . . . . ?
I2 Cu2 I1 Cu1 51.13(7) . . . . ?
Se2 Cu2 I2 Cu1 175.15(7) . . . 2_545 ?
Cu1 Cu2 I2 Cu1 -11.86(9) . . . 2_545 ?
Se1 Cu2 I2 Cu1 47.93(7) . . . 2_545 ?
I1 Cu2 I2 Cu1 -58.37(8) . . . 2_545 ?
Se2 Cu2 I2 Cu1 -172.99(10) . . . . ?
Cu1 Cu2 I2 Cu1 0.0 . . . . ?
Se1 Cu2 I2 Cu1 59.79(6) . . . . ?
I1 Cu2 I2 Cu1 -46.51(6) . . . . ?
Cu2 Cu1 I2 Cu1 167.73(10) . . . 2_545 ?
I2 Cu1 I2 Cu1 0.0 2_545 . . 2_545 ?
I1 Cu1 I2 Cu1 -144.92(12) . . . 2_545 ?
Se1 Cu1 I2 Cu1 113.62(9) . . . 2_545 ?
Cu1 Cu1 I2 Cu1 0.0 2_545 . . 2_545 ?
Cu2 Cu1 I2 Cu2 0.0 . . . . ?
I2 Cu1 I2 Cu2 -167.73(10) 2_545 . . . ?
I1 Cu1 I2 Cu2 47.34(6) . . . . ?
Se1 Cu1 I2 Cu2 -54.11(6) . . . . ?
Cu1 Cu1 I2 Cu2 -167.73(10) 2_545 . . . ?
C7 P1 C1 C2 30.6(9) . . . . ?
C25 P1 C1 C2 -83.1(8) . . . . ?
Se1 P1 C1 C2 152.2(7) . . . . ?
C7 P1 C1 C6 -146.9(7) . . . . ?
C25 P1 C1 C6 99.5(8) . . . . ?
Se1 P1 C1 C6 -25.2(8) . . . . ?
C6 C1 C2 C3 -0.8(14) . . . . ?
P1 C1 C2 C3 -178.2(7) . . . . ?
C1 C2 C3 C4 2.5(15) . . . . ?
C2 C3 C4 C5 -3.3(16) . . . . ?
C3 C4 C5 C6 2.4(16) . . . . ?
C4 C5 C6 C1 -0.6(15) . . . . ?
C2 C1 C6 C5 -0.2(14) . . . . ?
P1 C1 C6 C5 177.3(8) . . . . ?
C1 P1 C7 C8 54.4(10) . . . . ?
C25 P1 C7 C8 169.8(9) . . . . ?
Se1 P1 C7 C8 -64.4(10) . . . . ?
C1 P1 C7 C12 -132.2(10) . . . . ?
C25 P1 C7 C12 -16.8(11) . . . . ?
Se1 P1 C7 C12 109.1(9) . . . . ?
C12 C7 C8 C9 5.6(17) . . . . ?
P1 C7 C8 C9 179.2(9) . . . . ?
C7 C8 C9 C10 -6.0(18) . . . . ?
C8 C9 C10 C11 2.7(20) . . . . ?
C9 C10 C11 C12 0.9(21) . . . . ?
C10 C11 C12 C7 -1.2(20) . . . . ?
C8 C7 C12 C11 -2.1(18) . . . . ?
P1 C7 C12 C11 -175.5(10) . . . . ?
C19 P2 C13 C18 -83.5(9) . . . . ?
C26 P2 C13 C18 29.8(10) . . . . ?
Se2 P2 C13 C18 154.3(8) . . . . ?
C19 P2 C13 C14 93.5(9) . . . . ?
C26 P2 C13 C14 -153.2(8) . . . . ?
Se2 P2 C13 C14 -28.7(9) . . . . ?
C18 C13 C14 C15 1.7(17) . . . . ?
P2 C13 C14 C15 -175.4(10) . . . . ?
C13 C14 C15 C16 -1.6(20) . . . . ?
C14 C15 C16 C17 0.9(20) . . . . ?
C15 C16 C17 C18 -0.3(19) . . . . ?
C14 C13 C18 C17 -1.2(17) . . . . ?
P2 C13 C18 C17 175.8(10) . . . . ?
C16 C17 C18 C13 0.5(19) . . . . ?
C13 P2 C19 C20 -88.7(10) . . . . ?
C26 P2 C19 C20 158.3(9) . . . . ?
Se2 P2 C19 C20 36.4(9) . . . . ?
C13 P2 C19 C24 88.4(9) . . . . ?
C26 P2 C19 C24 -24.7(9) . . . . ?
Se2 P2 C19 C24 -146.6(7) . . . . ?
C24 C19 C20 C21 1.1(18) . . . . ?
P2 C19 C20 C21 178.2(11) . . . . ?
C19 C20 C21 C22 -1.0(22) . . . . ?
C20 C21 C22 C23 -0.4(23) . . . . ?
C21 C22 C23 C24 1.6(20) . . . . ?
C22 C23 C24 C19 -1.4(18) . . . . ?
C20 C19 C24 C23 0.1(17) . . . . ?
P2 C19 C24 C23 -176.9(9) . . . . ?
C7 P1 C25 C25 -174.7(10) . . . 2_645 ?
C1 P1 C25 C25 -61.3(11) . . . 2_645 ?
Se1 P1 C25 C25 60.1(11) . . . 2_645 ?
C13 P2 C26 C26 -176.8(8) . . . 2_546 ?
C19 P2 C26 C26 -63.8(10) . . . 2_546 ?
Se2 P2 C26 C26 56.9(9) . . . 2_546 ?
