#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/34/4023468.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_4023468
loop_
_publ_author_name
'Marek J. Potrzebowski'
'Wojciech M. Potrzebowski'
'Agata Jeziorna'
'Wlodzimierz Ciesielski'
'Jarosław Gajda'
'Grzegorz D. Bujacz'
'Maksymilian Chruszcz'
'Wladek Minor'
_publ_section_title
;
 Synthesis and Solid-State Study of Supramolecular Host-Guest
 Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D-
 galactopyranosyl)thiophosphoryl] Dichalcogenides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4388
_journal_page_last               4397
_journal_paper_doi               10.1021/jo8002997
_journal_volume                  73
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C48 H74 O24 P2 S2 Se2, 2(C3 H8 O)'
_chemical_formula_sum            'C54 H90 O26 P2 S2 Se2'
_chemical_formula_weight         1439.24
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      145
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_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                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.883
_cell_length_b                   11.883
_cell_length_c                   43.699
_cell_measurement_reflns_used    922
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.53
_cell_measurement_theta_min      2.03
_cell_volume                     5343.8
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71068
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            93310
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    1.214
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Sheldrick, G.M.)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.056(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         17025
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0483
_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)+(0.0677P)²+2.4423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                13721
_reflns_number_total             17025
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo8002997-File006.cif
_cod_data_source_block           struktury_dise
_cod_original_sg_symbol_Hall     P32
_cod_database_code               4023468
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
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
Se1 Se 0.34375(4) 0.84819(5) 0.117944(11) 0.06112(12) Uani 1 1 d . . .
Se2 Se 0.33653(4) 1.02453(4) 0.096332(11) 0.05988(12) Uani 1 1 d . . .
P3 P 0.16282(9) 0.93483(9) 0.06602(2) 0.0432(2) Uani 1 1 d . . .
P4 P 0.17859(10) 0.76011(10) 0.15063(2) 0.0463(2) Uani 1 1 d . . .
S1 S 0.18932(17) 1.06575(14) 0.03674(3) 0.0801(4) Uani 1 1 d . . .
S2 S 0.22086(17) 0.66051(15) 0.17780(4) 0.0856(4) Uani 1 1 d . . .
O6A O 0.1414(3) 0.8006(2) 0.05431(7) 0.0495(6) Uani 1 1 d . . .
O6B O 0.1566(3) 0.8705(3) 0.16381(7) 0.0514(6) Uani 1 1 d . . .
O2D O -0.3397(3) 0.6846(3) 0.15862(8) 0.0620(7) Uani 1 1 d . . .
O2C O -0.3497(3) 0.4949(3) 0.06667(8) 0.0568(7) Uani 1 1 d . . .
O1D O -0.1565(3) 0.9650(3) 0.13374(8) 0.0628(8) Uani 1 1 d . . .
O6C O 0.0469(2) 0.6866(3) 0.13234(6) 0.0498(6) Uani 1 1 d . . .
C6C C 0.0116(4) 0.5666(4) 0.11674(10) 0.0511(9) Uani 1 1 d . . .
H6C1 H 0.0118 0.5037 0.1308 0.061 Uiso 1 1 calc R . .
H6C2 H 0.0724 0.5813 0.1003 0.061 Uiso 1 1 calc R . .
C6B C 0.2576(4) 0.9739(4) 0.18156(10) 0.0533(9) Uani 1 1 d . . .
H6B1 H 0.3142 1.0460 0.1684 0.064 Uiso 1 1 calc R . .
H6B2 H 0.3095 0.9434 0.1919 0.064 Uiso 1 1 calc R . .
O1C O -0.1589(3) 0.4008(3) 0.08853(8) 0.0619(8) Uani 1 1 d . . .
O6D O 0.0378(2) 0.8788(2) 0.08673(6) 0.0460(6) Uani 1 1 d . . .
O1B O 0.2983(3) 1.1141(3) 0.22233(7) 0.0568(7) Uani 1 1 d . . .
C4C C -0.2233(4) 0.4954(4) 0.12873(10) 0.0499(9) Uani 1 1 d . . .
H4C H -0.2104 0.5785 0.1364 0.060 Uiso 1 1 calc R . .
C5C C -0.1250(3) 0.5178(3) 0.10394(9) 0.0443(8) Uani 1 1 d . . .
H5C H -0.1224 0.5813 0.0892 0.053 Uiso 1 1 calc R . .
O1'C O -0.2444(3) 0.4095(3) 0.04152(8) 0.0674(8) Uani 1 1 d . . .
C4A C 0.0786(4) 0.5564(4) 0.02566(10) 0.0533(9) Uani 1 1 d . . .
H4A H 0.0031 0.5481 0.0367 0.064 Uiso 1 1 calc R . .
O3A O 0.1608(4) 0.5366(3) 0.04577(8) 0.0676(8) Uani 1 1 d . . .
O4C O 0.5926(3) 1.2888(3) 0.13190(9) 0.0731(9) Uani 1 1 d . . .
C4D C -0.2306(4) 0.7983(4) 0.09484(10) 0.0502(9) Uani 1 1 d . . .
C5A C 0.1533(4) 0.6888(4) 0.01081(9) 0.0484(8) Uani 1 1 d . . .
H5A H 0.0925 0.7081 0.0001 0.058 Uiso 1 1 calc R . .
O4A O 0.1140(4) 0.3907(3) 0.00799(8) 0.0732(9) Uani 1 1 d . . .
O1A O 0.2454(3) 0.6901(3) -0.01070(7) 0.0636(8) Uani 1 1 d . . .
C5D C -0.1241(4) 0.8781(4) 0.11826(10) 0.0498(9) Uani 1 1 d . . .
C6D C 0.0055(4) 0.9644(4) 0.10285(10) 0.0479(8) Uani 1 1 d . . .
H6D1 H -0.0012 1.0237 0.0887 0.058 Uiso 1 1 calc R . .
H6D2 H 0.0716 1.0148 0.1180 0.058 Uiso 1 1 calc R . .
O4B O 0.1725(4) 1.2871(3) 0.20209(8) 0.0751(10) Uani 1 1 d . . .
C6A C 0.2330(4) 0.7968(4) 0.03282(10) 0.0533(9) Uani 1 1 d . . .
H6A1 H 0.2947 0.7800 0.0435 0.064 Uiso 1 1 calc R . .
H6A2 H 0.2806 0.8789 0.0221 0.064 Uiso 1 1 calc R . .
O1'A O 0.1520(5) 0.6827(5) -0.05804(9) 0.0957(13) Uani 1 1 d . . .
C2D C -0.3696(4) 0.7688(5) 0.14238(12) 0.0619(11) Uani 1 1 d . . .
H2D H -0.4555 0.7534 0.1485 0.074 Uiso 1 1 calc R . .
C7C C -0.3087(5) 0.4835(5) 0.03666(12) 0.0659(11) Uani 1 1 d . . .
O3B O 0.1875(4) 1.1609(3) 0.16631(7) 0.0695(9) Uani 1 1 d . . .
C5B C 0.1905(4) 1.0171(4) 0.20500(9) 0.0471(8) Uani 1 1 d . . .
H5B H 0.1340 0.9440 0.2183 0.057 Uiso 1 1 calc R . .
O4D O -0.4137(3) 0.8226(4) 0.09395(9) 0.0732(9) Uani 1 1 d . . .
O3C O -0.2122(3) 0.4230(4) 0.15250(9) 0.0760(10) Uani 1 1 d . . .
C2C C -0.3753(4) 0.3821(4) 0.08323(11) 0.0581(10) Uani 1 1 d . . .
H2C H -0.4625 0.3108 0.0783 0.070 Uiso 1 1 calc R . .
O2B O 0.0377(4) 1.0373(5) 0.25953(8) 0.0828(11) Uani 1 1 d . . .
C3C C -0.3646(4) 0.4094(4) 0.11682(11) 0.0574(10) Uani 1 1 d . . .
H3C H -0.4186 0.4469 0.1227 0.069 Uiso 1 1 calc R . .
O3D O -0.2253(3) 0.8766(4) 0.07027(8) 0.0703(9) Uani 1 1 d . . .
O1'B O 0.2315(4) 1.0568(5) 0.27211(8) 0.0861(11) Uani 1 1 d . . .
C3D C -0.3681(4) 0.7455(5) 0.10855(12) 0.0602(10) Uani 1 1 d . . .
H3D H -0.4240 0.6532 0.1036 0.072 Uiso 1 1 calc R . .
O1'D O -0.2296(4) 0.8816(3) 0.18192(8) 0.0763(10) Uani 1 1 d . . .
C11D C -0.3212(8) 1.0071(7) 0.06091(18) 0.100(2) Uani 1 1 d . . .
H11A H -0.4024 1.0048 0.0581 0.150 Uiso 1 1 calc R . .
H11B H -0.2684 1.0427 0.0430 0.150 Uiso 1 1 calc R . .
H11C H -0.2768 1.0603 0.0783 0.150 Uiso 1 1 calc R . .
O2A O -0.0386(4) 0.5242(4) -0.03942(9) 0.0845(11) Uani 1 1 d . . .
C10D C -0.3458(5) 0.8727(5) 0.06614(12) 0.0635(11) Uani 1 1 d . . .
C1C C -0.2715(4) 0.3520(4) 0.07042(12) 0.0623(11) Uani 1 1 d . . .
H1C H -0.3099 0.2578 0.0682 0.075 Uiso 1 1 calc R . .
C10B C 0.1864(6) 1.2792(5) 0.17013(12) 0.0701(13) Uani 1 1 d . . .
C3A C 0.0356(5) 0.4460(4) 0.00185(11) 0.0636(11) Uani 1 1 d . . .
H3A H -0.0560 0.3809 0.0051 0.076 Uiso 1 1 calc R . .
C10C C 0.6676(5) 1.3106(4) 0.15857(13) 0.0682(12) Uani 1 1 d . . .
C2A C 0.0558(6) 0.4900(5) -0.03089(12) 0.0734(14) Uani 1 1 d . . .
H2A H 0.0477 0.4197 -0.0441 0.088 Uiso 1 1 calc R . .
C10A C 0.1504(5) 0.4138(4) 0.03900(13) 0.0661(12) Uani 1 1 d . . .
C7D C -0.2917(5) 0.7443(5) 0.18809(12) 0.0713(13) Uani 1 1 d . . .
C1B C 0.2588(6) 1.1485(5) 0.24900(11) 0.0692(12) Uani 1 1 d . . .
H1B H 0.3292 1.2329 0.2560 0.083 Uiso 1 1 calc R . .
C4B C 0.1139(4) 1.0732(4) 0.19086(9) 0.0524(9) Uani 1 1 d . . .
H4B H 0.0303 1.0036 0.1832 0.063 Uiso 1 1 calc R . .
C1A C 0.1859(6) 0.6127(5) -0.03688(11) 0.0756(14) Uani 1 1 d . . .
H1A H 0.2458 0.5896 -0.0466 0.091 Uiso 1 1 calc R . .
C1D C -0.2652(5) 0.9031(5) 0.15299(12) 0.0658(12) Uani 1 1 d . . .
H1D H -0.3040 0.9587 0.1551 0.079 Uiso 1 1 calc R . .
C12C C 0.6046(6) 1.3322(6) 0.18640(15) 0.0882(17) Uani 1 1 d . . .
H12A H 0.6584 1.3468 0.2040 0.132 Uiso 1 1 calc R . .
H12B H 0.5208 1.2569 0.1897 0.132 Uiso 1 1 calc R . .
H12C H 0.5946 1.4066 0.1831 0.132 Uiso 1 1 calc R . .
C8C C -0.2138(6) 0.6139(6) 0.02460(14) 0.0845(16) Uani 1 1 d . . .
H8C1 H -0.2568 0.6629 0.0211 0.127 Uiso 1 1 calc R . .
H8C2 H -0.1782 0.6045 0.0057 0.127 Uiso 1 1 calc R . .
H8C3 H -0.1451 0.6586 0.0392 0.127 Uiso 1 1 calc R . .
C9D C -0.4038(8) 0.7051(8) 0.21024(16) 0.107(2) Uani 1 1 d . . .
H9D1 H -0.4440 0.6137 0.2144 0.160 Uiso 1 1 calc R . .
H9D2 H -0.4665 0.7237 0.2013 0.160 Uiso 1 1 calc R . .
H9D3 H -0.3717 0.7530 0.2290 0.160 Uiso 1 1 calc R . .
C9C C -0.4267(6) 0.4055(8) 0.01602(16) 0.097(2) Uani 1 1 d . . .
H9C1 H -0.4699 0.4544 0.0125 0.145 Uiso 1 1 calc R . .
H9C2 H -0.4856 0.3247 0.0258 0.145 Uiso 1 1 calc R . .
H9C3 H -0.3987 0.3885 -0.0032 0.145 Uiso 1 1 calc R . .
C12B C 0.3171(8) 1.3885(7) 0.1607(2) 0.116(3) Uani 1 1 d . . .
H12D H 0.3276 1.3846 0.1390 0.174 Uiso 1 1 calc R . .
H12E H 0.3840 1.3807 0.1712 0.174 Uiso 1 1 calc R . .
H12F H 0.3235 1.4700 0.1658 0.174 Uiso 1 1 calc R . .
C7B C 0.1031(6) 1.0096(7) 0.28352(12) 0.0837(16) Uani 1 1 d . . .
C12D C -0.4200(6) 0.7798(7) 0.04031(16) 0.0885(17) Uani 1 1 d . . .
H12G H -0.5015 0.7769 0.0374 0.133 Uiso 1 1 calc R . .
H12H H -0.4357 0.6945 0.0453 0.133 Uiso 1 1 calc R . .
H12I H -0.3699 0.8091 0.0218 0.133 Uiso 1 1 calc R . .
C8D C -0.1910(7) 0.7115(7) 0.19897(14) 0.0883(17) Uani 1 1 d . . .
H8D1 H -0.2319 0.6200 0.2031 0.132 Uiso 1 1 calc R . .
H8D2 H -0.1510 0.7592 0.2173 0.132 Uiso 1 1 calc R . .
H8D3 H -0.1260 0.7343 0.1834 0.132 Uiso 1 1 calc R . .
C3B C 0.0929(5) 1.1581(5) 0.21342(11) 0.0662(12) Uani 1 1 d . . .
H3B H 0.0015 1.1354 0.2132 0.079 Uiso 1 1 calc R . .
C12A C 0.0508(7) 0.3122(6) 0.05912(16) 0.0895(18) Uani 1 1 d . . .
H12J H 0.0449 0.2302 0.0548 0.134 Uiso 1 1 calc R . .
H12K H -0.0319 0.3057 0.0554 0.134 Uiso 1 1 calc R . .
H12L H 0.0749 0.3350 0.0801 0.134 Uiso 1 1 calc R . .
C11C C 0.6871(8) 1.1939(6) 0.1621(2) 0.111(2) Uani 1 1 d . . .
H11D H 0.6053 1.1178 0.1665 0.167 Uiso 1 1 calc R . .
H11E H 0.7468 1.2095 0.1785 0.167 Uiso 1 1 calc R . .
H11F H 0.7217 1.1808 0.1434 0.167 Uiso 1 1 calc R . .
C11B C 0.0708(8) 1.2718(6) 0.15356(16) 0.094(2) Uani 1 1 d . . .
H11G H 0.0814 1.2673 0.1319 0.141 Uiso 1 1 calc R . .
H11H H 0.0650 1.3477 0.1582 0.141 Uiso 1 1 calc R . .
H11I H -0.0073 1.1956 0.1601 0.141 Uiso 1 1 calc R . .
C2B C 0.1354(6) 1.1569(6) 0.24554(12) 0.0740(14) Uani 1 1 d . . .
H2B H 0.1437 1.2319 0.2569 0.089 Uiso 1 1 calc R . .
C7A C 0.0155(8) 0.6153(8) -0.06369(15) 0.105(2) Uani 1 1 d . . .
C11A C 0.2848(6) 0.4299(7) 0.0420(2) 0.105(2) Uani 1 1 d . . .
H11J H 0.2804 0.3485 0.0377 0.158 Uiso 1 1 calc R . .
H11K H 0.3165 0.4569 0.0624 0.158 Uiso 1 1 calc R . .
H11L H 0.3426 0.4943 0.0277 0.158 Uiso 1 1 calc R . .
C9B C 0.0369(7) 0.8656(7) 0.28794(16) 0.0975(19) Uani 1 1 d . . .
H9B1 H 0.0795 0.8459 0.3040 0.146 Uiso 1 1 calc R . .
H9B2 H 0.0411 0.8252 0.2693 0.146 Uiso 1 1 calc R . .
H9B3 H -0.0524 0.8333 0.2934 0.146 Uiso 1 1 calc R . .
C8B C 0.1107(9) 1.0826(10) 0.31270(14) 0.122(3) Uani 1 1 d . . .
H8B1 H 0.1539 1.0614 0.3283 0.182 Uiso 1 1 calc R . .
H8B2 H 0.0245 1.0581 0.3194 0.182 Uiso 1 1 calc R . .
H8B3 H 0.1585 1.1744 0.3088 0.182 Uiso 1 1 calc R . .
C8A C -0.0342(11) 0.7054(10) -0.0629(2) 0.130(3) Uani 1 1 d . . .
H8A1 H 0.0029 0.7664 -0.0794 0.194 Uiso 1 1 calc R . .
H8A2 H -0.0112 0.7514 -0.0437 0.194 Uiso 1 1 calc R . .
H8A3 H -0.1271 0.6578 -0.0649 0.194 Uiso 1 1 calc R . .
C9A C -0.0113(12) 0.5374(11) -0.09349(16) 0.151(4) Uani 1 1 d . . .
H9A1 H 0.0225 0.4793 -0.0918 0.227 Uiso 1 1 calc R . .
H9A2 H 0.0301 0.5960 -0.1103 0.227 Uiso 1 1 calc R . .
H9A3 H -0.1033 0.4882 -0.0970 0.227 Uiso 1 1 calc R . .
C1L1 C 0.064(3) 0.463(3) 0.2670(6) 0.323(13) Uiso 1 1 d D . .
C2L1 C -0.028(2) 0.402(2) 0.2388(5) 0.254(8) Uiso 1 1 d D . .
C4L1 C 0.190(3) 0.500(3) 0.2504(7) 0.330(14) Uiso 1 1 d D . .
C3L1 C 0.026(4) 0.559(4) 0.2546(11) 0.46(2) Uiso 1 1 d D . .
C4L2 C 0.5085(19) 0.3551(19) 0.3126(4) 0.223(7) Uiso 1 1 d D . .
C2L2 C 0.642(3) 0.606(3) 0.2930(7) 0.310(12) Uiso 1 1 d D . .
C3L2 C 0.453(3) 0.472(3) 0.2998(6) 0.294(11) Uiso 1 1 d D . .
C1L2 C 0.565(4) 0.460(3) 0.2877(10) 0.64(5) Uiso 1 1 d D . .
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'
O O 0.0106 0.0060 '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'
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
P4 Se1 Se2 105.20(3) . . ?
P3 Se2 Se1 104.60(3) . . ?
O6A P3 O6D 96.77(14) . . ?
O6A P3 S1 119.00(13) . . ?
O6D P3 S1 117.72(12) . . ?
O6A P3 Se2 108.72(12) . . ?
O6D P3 Se2 108.25(11) . . ?
S1 P3 Se2 105.80(7) . . ?
O6B P4 O6C 96.60(14) . . ?
O6B P4 S2 119.65(13) . . ?
O6C P4 S2 117.85(12) . . ?
O6B P4 Se1 108.62(12) . . ?
O6C P4 Se1 109.48(11) . . ?
S2 P4 Se1 104.32(7) . . ?
C6A O6A P3 119.9(2) . . ?
C6B O6B P4 119.6(2) . . ?
C2D O2D C7D 106.2(4) . . ?
C2C O2C C7C 107.6(3) . . ?
C1D O1D C5D 114.4(3) . . ?
C6C O6C P4 120.4(2) . . ?
O6C C6C C5C 106.1(3) . . ?
O6C C6C H6C1 110.5 . . ?
C5C C6C H6C1 110.5 . . ?
O6C C6C H6C2 110.5 . . ?
C5C C6C H6C2 110.5 . . ?
H6C1 C6C H6C2 108.7 . . ?
O6B C6B C5B 107.1(3) . . ?
O6B C6B H6B1 110.3 . . ?
C5B C6B H6B1 110.3 . . ?
O6B C6B H6B2 110.3 . . ?
C5B C6B H6B2 110.3 . . ?
H6B1 C6B H6B2 108.6 . . ?
C1C O1C C5C 114.8(3) . . ?
C6D O6D P3 120.7(2) . . ?
C1B O1B C5B 112.3(3) . . ?
O3C C4C C5C 109.8(3) . . ?
O3C C4C C3C 104.3(3) . . ?
C5C C4C C3C 111.1(3) . . ?
O3C C4C H4C 110.5 . . ?
C5C C4C H4C 110.5 . . ?
C3C C4C H4C 110.5 . . ?
O1C C5C C4C 110.7(3) . . ?
O1C C5C C6C 105.9(3) . . ?
C4C C5C C6C 112.6(3) . . ?
O1C C5C H5C 109.2 . . ?
C4C C5C H5C 109.2 . . ?
C6C C5C H5C 109.2 . . ?
C1C O1'C C7C 111.7(4) . . ?
O3A C4A C5A 110.1(4) . . ?
O3A C4A C3A 103.8(3) . . ?
C5A C4A C3A 111.5(4) . . ?
O3A C4A H4A 110.4 . . ?
C5A C4A H4A 110.4 . . ?
C3A C4A H4A 110.4 . . ?
C4A O3A C10A 109.0(3) . . ?
C10C O4C C3C 108.9(3) . 1_665 ?
O3D C4D C5D 110.6(3) . . ?
O3D C4D C3D 104.7(3) . . ?
C5D C4D C3D 111.7(3) . . ?
O1A C5A C6A 105.0(3) . . ?
O1A C5A C4A 109.9(3) . . ?
C6A C5A C4A 113.9(3) . . ?
O1A C5A H5A 109.3 . . ?
C6A C5A H5A 109.3 . . ?
C4A C5A H5A 109.3 . . ?
C3A O4A C10A 107.7(3) . . ?
C1A O1A C5A 113.0(4) . . ?
O1D C5D C6D 105.6(3) . . ?
O1D C5D C4D 108.9(3) . . ?
C6D C5D C4D 111.6(3) . . ?
O6D C6D C5D 106.2(3) . . ?
O6D C6D H6D1 110.5 . . ?
C5D C6D H6D1 110.5 . . ?
O6D C6D H6D2 110.5 . . ?
C5D C6D H6D2 110.5 . . ?
H6D1 C6D H6D2 108.7 . . ?
C10B O4B C3B 107.9(3) . . ?
O6A C6A C5A 106.1(3) . . ?
O6A C6A H6A1 110.5 . . ?
C5A C6A H6A1 110.5 . . ?
O6A C6A H6A2 110.5 . . ?
C5A C6A H6A2 110.5 . . ?
H6A1 C6A H6A2 108.7 . . ?
C7A O1'A C1A 111.0(5) . . ?
O2D C2D C3D 109.5(3) . . ?
O2D C2D C1D 103.2(4) . . ?
C3D C2D C1D 114.4(4) . . ?
O2D C2D H2D 109.8 . . ?
C3D C2D H2D 109.8 . . ?
C1D C2D H2D 109.8 . . ?
O2C C7C O1'C 103.5(4) . . ?
O2C C7C C8C 110.2(4) . . ?
O1'C C7C C8C 109.4(4) . . ?
O2C C7C C9C 110.2(4) . . ?
O1'C C7C C9C 108.8(5) . . ?
C8C C7C C9C 114.2(5) . . ?
C10B O3B C4B 108.9(4) . . ?
O1B C5B C4B 110.8(3) . . ?
O1B C5B C6B 102.4(3) . . ?
C4B C5B C6B 113.9(3) . . ?
O1B C5B H5B 109.8 . . ?
C4B C5B H5B 109.8 . . ?
C6B C5B H5B 109.8 . . ?
C10D O4D C3D 109.6(3) . . ?
C4C O3C C10C 111.2(4) . 1_445 ?
O2C C2C C3C 110.0(3) . . ?
O2C C2C C1C 102.4(4) . . ?
C3C C2C C1C 114.4(4) . . ?
O2C C2C H2C 109.9 . . ?
C3C C2C H2C 109.9 . . ?
C1C C2C H2C 109.9 . . ?
C7B O2B C2B 105.8(4) . . ?
O4C C3C C2C 106.7(4) 1_445 . ?
O4C C3C C4C 103.4(4) 1_445 . ?
C2C C3C C4C 114.7(3) . . ?
O4C C3C H3C 110.6 1_445 . ?
C2C C3C H3C 110.6 . . ?
C4C C3C H3C 110.6 . . ?
C4D O3D C10D 111.4(3) . . ?
C1B O1'B C7B 110.1(4) . . ?
O4D C3D C2D 106.1(4) . . ?
O4D C3D C4D 103.2(4) . . ?
C2D C3D C4D 114.4(4) . . ?
O4D C3D H3D 110.9 . . ?
C2D C3D H3D 110.9 . . ?
C4D C3D H3D 110.9 . . ?
C1D O1'D C7D 110.3(4) . . ?
C10D C11D H11A 109.5 . . ?
C10D C11D H11B 109.5 . . ?
H11A C11D H11B 109.5 . . ?
C10D C11D H11C 109.5 . . ?
H11A C11D H11C 109.5 . . ?
H11B C11D H11C 109.5 . . ?
C2A O2A C7A 107.0(5) . . ?
O4D C10D O3D 104.9(4) . . ?
O4D C10D C11D 110.4(5) . . ?
O3D C10D C11D 109.2(5) . . ?
O4D C10D C12D 109.4(5) . . ?
O3D C10D C12D 109.2(4) . . ?
C11D C10D C12D 113.4(5) . . ?
O1'C C1C O1C 111.6(4) . . ?
O1'C C1C C2C 103.3(4) . . ?
O1C C1C C2C 113.9(4) . . ?
O1'C C1C H1C 109.3 . . ?
O1C C1C H1C 109.3 . . ?
C2C C1C H1C 109.3 . . ?
O4B C10B O3B 103.9(3) . . ?
O4B C10B C12B 108.6(5) . . ?
O3B C10B C12B 107.8(5) . . ?
O4B C10B C11B 110.0(5) . . ?
O3B C10B C11B 110.0(4) . . ?
C12B C10B C11B 115.7(5) . . ?
O4A C3A C2A 108.4(4) . . ?
O4A C3A C4A 104.6(4) . . ?
C2A C3A C4A 114.7(4) . . ?
O4A C3A H3A 109.6 . . ?
C2A C3A H3A 109.6 . . ?
C4A C3A H3A 109.6 . . ?
O3C C10C O4C 105.5(4) 1_665 . ?
O3C C10C C12C 110.0(5) 1_665 . ?
O4C C10C C12C 111.9(5) . . ?
O3C C10C C11C 109.8(5) 1_665 . ?
O4C C10C C11C 106.6(5) . . ?
C12C C10C C11C 112.7(5) . . ?
O2A C2A C3A 109.7(4) . . ?
O2A C2A C1A 104.4(4) . . ?
C3A C2A C1A 113.9(4) . . ?
O2A C2A H2A 109.5 . . ?
C3A C2A H2A 109.5 . . ?
C1A C2A H2A 109.5 . . ?
O4A C10A O3A 105.0(4) . . ?
O4A C10A C12A 111.7(5) . . ?
O3A C10A C12A 109.5(4) . . ?
O4A C10A C11A 108.0(5) . . ?
O3A C10A C11A 107.8(4) . . ?
C12A C10A C11A 114.4(5) . . ?
O1'D C7D O2D 104.0(4) . . ?
O1'D C7D C8D 109.2(5) . . ?
O2D C7D C8D 108.9(4) . . ?
O1'D C7D C9D 109.9(5) . . ?
O2D C7D C9D 110.3(5) . . ?
C8D C7D C9D 114.0(6) . . ?
O1B C1B O1'B 110.9(4) . . ?
O1B C1B C2B 114.4(4) . . ?
O1'B C1B C2B 105.4(5) . . ?
O1B C1B H1B 108.7 . . ?
O1'B C1B H1B 108.7 . . ?
C2B C1B H1B 108.7 . . ?
O3B C4B C5B 110.0(4) . . ?
O3B C4B C3B 104.1(3) . . ?
C5B C4B C3B 111.4(3) . . ?
O3B C4B H4B 110.4 . . ?
C5B C4B H4B 110.4 . . ?
C3B C4B H4B 110.4 . . ?
O1A C1A O1'A 109.9(4) . . ?
O1A C1A C2A 114.8(4) . . ?
O1'A C1A C2A 102.8(5) . . ?
O1A C1A H1A 109.7 . . ?
O1'A C1A H1A 109.7 . . ?
C2A C1A H1A 109.7 . . ?
O1'D C1D O1D 110.8(4) . . ?
O1'D C1D C2D 104.2(4) . . ?
O1D C1D C2D 114.9(4) . . ?
O1'D C1D H1D 108.9 . . ?
O1D C1D H1D 108.9 . . ?
C2D C1D H1D 108.9 . . ?
C10C C12C H12A 109.5 . . ?
C10C C12C H12B 109.5 . . ?
H12A C12C H12B 109.5 . . ?
C10C C12C H12C 109.5 . . ?
H12A C12C H12C 109.5 . . ?
H12B C12C H12C 109.5 . . ?
C7C C8C H8C1 109.5 . . ?
C7C C8C H8C2 109.5 . . ?
H8C1 C8C H8C2 109.5 . . ?
C7C C8C H8C3 109.5 . . ?
H8C1 C8C H8C3 109.5 . . ?
H8C2 C8C H8C3 109.5 . . ?
C7D C9D H9D1 109.5 . . ?
C7D C9D H9D2 109.5 . . ?
H9D1 C9D H9D2 109.5 . . ?
C7D C9D H9D3 109.5 . . ?
H9D1 C9D H9D3 109.5 . . ?
H9D2 C9D H9D3 109.5 . . ?
C7C C9C H9C1 109.5 . . ?
C7C C9C H9C2 109.5 . . ?
H9C1 C9C H9C2 109.5 . . ?
C7C C9C H9C3 109.5 . . ?
H9C1 C9C H9C3 109.5 . . ?
H9C2 C9C H9C3 109.5 . . ?
C10B C12B H12D 109.5 . . ?
C10B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
O1'B C7B O2B 104.5(4) . . ?
O1'B C7B C9B 110.0(6) . . ?
O2B C7B C9B 108.7(5) . . ?
O1'B C7B C8B 108.8(6) . . ?
O2B C7B C8B 111.5(6) . . ?
C9B C7B C8B 113.1(6) . . ?
C10D C12D H12G 109.5 . . ?
C10D C12D H12H 109.5 . . ?
H12G C12D H12H 109.5 . . ?
C10D C12D H12I 109.5 . . ?
H12G C12D H12I 109.5 . . ?
H12H C12D H12I 109.5 . . ?
C7D C8D H8D1 109.5 . . ?
C7D C8D H8D2 109.5 . . ?
H8D1 C8D H8D2 109.5 . . ?
C7D C8D H8D3 109.5 . . ?
H8D1 C8D H8D3 109.5 . . ?
H8D2 C8D H8D3 109.5 . . ?
O4B C3B C2B 106.9(4) . . ?
O4B C3B C4B 104.3(4) . . ?
C2B C3B C4B 115.8(4) . . ?
O4B C3B H3B 109.9 . . ?
C2B C3B H3B 109.9 . . ?
C4B C3B H3B 109.9 . . ?
C10A C12A H12J 109.5 . . ?
C10A C12A H12K 109.5 . . ?
H12J C12A H12K 109.5 . . ?
C10A C12A H12L 109.5 . . ?
H12J C12A H12L 109.5 . . ?
H12K C12A H12L 109.5 . . ?
C10C C11C H11D 109.5 . . ?
C10C C11C H11E 109.5 . . ?
H11D C11C H11E 109.5 . . ?
C10C C11C H11F 109.5 . . ?
H11D C11C H11F 109.5 . . ?
H11E C11C H11F 109.5 . . ?
C10B C11B H11G 109.5 . . ?
C10B C11B H11H 109.5 . . ?
H11G C11B H11H 109.5 . . ?
C10B C11B H11I 109.5 . . ?
H11G C11B H11I 109.5 . . ?
H11H C11B H11I 109.5 . . ?
O2B C2B C3B 107.3(5) . . ?
O2B C2B C1B 102.6(4) . . ?
C3B C2B C1B 115.7(4) . . ?
O2B C2B H2B 110.3 . . ?
C3B C2B H2B 110.3 . . ?
C1B C2B H2B 110.3 . . ?
O2A C7A O1'A 104.7(5) . . ?
O2A C7A C8A 110.2(7) . . ?
O1'A C7A C8A 110.4(7) . . ?
O2A C7A C9A 107.2(7) . . ?
O1'A C7A C9A 108.7(8) . . ?
C8A C7A C9A 115.2(7) . . ?
C10A C11A H11J 109.5 . . ?
C10A C11A H11K 109.5 . . ?
H11J C11A H11K 109.5 . . ?
C10A C11A H11L 109.5 . . ?
H11J C11A H11L 109.5 . . ?
H11K C11A H11L 109.5 . . ?
C7B C9B H9B1 109.5 . . ?
C7B C9B H9B2 109.5 . . ?
H9B1 C9B H9B2 109.5 . . ?
C7B C9B H9B3 109.5 . . ?
H9B1 C9B H9B3 109.5 . . ?
H9B2 C9B H9B3 109.5 . . ?
C7B C8B H8B1 109.5 . . ?
C7B C8B H8B2 109.5 . . ?
H8B1 C8B H8B2 109.5 . . ?
C7B C8B H8B3 109.5 . . ?
H8B1 C8B H8B3 109.5 . . ?
H8B2 C8B H8B3 109.5 . . ?
C7A C8A H8A1 109.5 . . ?
C7A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C7A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
C7A C9A H9A1 109.5 . . ?
C7A C9A H9A2 109.5 . . ?
H9A1 C9A H9A2 109.5 . . ?
C7A C9A H9A3 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 109.5 . . ?
C4L1 C1L1 C3L1 103(3) . . ?
C4L1 C1L1 C2L1 97(2) . . ?
C3L1 C1L1 C2L1 71(2) . . ?
C1L1 C2L1 C3L1 53.5(11) . . ?
C1L1 C3L1 C2L1 56.0(14) . . ?
C1L2 C4L2 C3L2 50.6(11) . . ?
C1L2 C2L2 C3L2 47.5(13) . . ?
C1L2 C3L2 C4L2 52.2(11) . . ?
C1L2 C3L2 C2L2 48.5(13) . . ?
C4L2 C3L2 C2L2 88.0(16) . . ?
C3L2 C1L2 C2L2 84(2) . . ?
C3L2 C1L2 C4L2 77.3(18) . . ?
C2L2 C1L2 C4L2 126(4) . . ?
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
Se1 P4 2.2212(11) . ?
Se1 Se2 2.3388(7) . ?
Se2 P3 2.2252(11) . ?
P3 O6A 1.570(3) . ?
P3 O6D 1.575(3) . ?
P3 S1 1.9149(15) . ?
P4 O6B 1.570(3) . ?
P4 O6C 1.576(3) . ?
P4 S2 1.9123(16) . ?
O6A C6A 1.455(5) . ?
O6B C6B 1.442(5) . ?
O2D C2D 1.409(6) . ?
O2D C7D 1.443(6) . ?
O2C C2C 1.416(5) . ?
O2C C7C 1.429(6) . ?
O1D C1D 1.402(6) . ?
O1D C5D 1.438(4) . ?
O6C C6C 1.440(5) . ?
C6C C5C 1.531(5) . ?
C6C H6C1 0.9700 . ?
C6C H6C2 0.9700 . ?
C6B C5B 1.536(6) . ?
C6B H6B1 0.9700 . ?
C6B H6B2 0.9700 . ?
O1C C1C 1.406(6) . ?
O1C C5C 1.411(4) . ?
O6D C6D 1.439(4) . ?
O1B C1B 1.392(6) . ?
O1B C5B 1.437(5) . ?
C4C O3C 1.397(5) . ?
C4C C5C 1.516(5) . ?
C4C C3C 1.556(6) . ?
C4C H4C 0.9800 . ?
C5C H5C 0.9800 . ?
O1'C C1C 1.395(6) . ?
O1'C C7C 1.440(6) . ?
C4A O3A 1.419(6) . ?
C4A C5A 1.512(6) . ?
C4A C3A 1.548(6) . ?
C4A H4A 0.9800 . ?
O3A C10A 1.432(5) . ?
O4C C10C 1.410(7) . ?
O4C C3C 1.421(5) 1_665 ?
C4D O3D 1.401(6) . ?
C4D C5D 1.532(6) . ?
C4D C3D 1.548(6) . ?
C5A O1A 1.437(5) . ?
C5A C6A 1.501(6) . ?
C5A H5A 0.9800 . ?
O4A C3A 1.408(6) . ?
O4A C10A 1.407(7) . ?
O1A C1A 1.415(6) . ?
C5D C6D 1.516(5) . ?
C6D H6D1 0.9700 . ?
C6D H6D2 0.9700 . ?
O4B C10B 1.415(6) . ?
O4B C3B 1.429(7) . ?
C6A H6A1 0.9700 . ?
C6A H6A2 0.9700 . ?
O1'A C7A 1.426(9) . ?
O1'A C1A 1.430(7) . ?
C2D C3D 1.506(7) . ?
C2D C1D 1.524(7) . ?
C2D H2D 0.9800 . ?
C7C C8C 1.484(8) . ?
C7C C9C 1.530(8) . ?
O3B C10B 1.421(6) . ?
O3B C4B 1.446(5) . ?
C5B C4B 1.504(5) . ?
C5B H5B 0.9800 . ?
O4D C10D 1.415(6) . ?
O4D C3D 1.427(6) . ?
O3C C10C 1.409(6) 1_445 ?
C2C C3C 1.495(7) . ?
C2C C1C 1.550(6) . ?
C2C H2C 0.9800 . ?
O2B C7B 1.438(7) . ?
O2B C2B 1.446(7) . ?
C3C O4C 1.421(5) 1_445 ?
C3C H3C 0.9800 . ?
O3D C10D 1.421(5) . ?
O1'B C1B 1.400(7) . ?
O1'B C7B 1.427(7) . ?
C3D H3D 0.9800 . ?
O1'D C1D 1.397(7) . ?
O1'D C7D 1.441(6) . ?
C11D C10D 1.490(8) . ?
C11D H11A 0.9600 . ?
C11D H11B 0.9600 . ?
C11D H11C 0.9600 . ?
O2A C2A 1.422(7) . ?
O2A C7A 1.420(8) . ?
C10D C12D 1.515(8) . ?
C1C H1C 0.9800 . ?
C10B C12B 1.501(10) . ?
C10B C11B 1.516(8) . ?
C3A C2A 1.500(7) . ?
C3A H3A 0.9800 . ?
C10C O3C 1.409(6) 1_665 ?
C10C C12C 1.516(8) . ?
C10C C11C 1.524(8) . ?
C2A C1A 1.527(8) . ?
C2A H2A 0.9800 . ?
C10A C12A 1.484(8) . ?
C10A C11A 1.516(8) . ?
C7D C8D 1.509(9) . ?
C7D C9D 1.519(8) . ?
C1B C2B 1.527(8) . ?
C1B H1B 0.9800 . ?
C4B C3B 1.517(6) . ?
C4B H4B 0.9800 . ?
C1A H1A 0.9800 . ?
C1D H1D 0.9800 . ?
C12C H12A 0.9600 . ?
C12C H12B 0.9600 . ?
C12C H12C 0.9600 . ?
C8C H8C1 0.9600 . ?
C8C H8C2 0.9600 . ?
C8C H8C3 0.9600 . ?
C9D H9D1 0.9600 . ?
C9D H9D2 0.9600 . ?
C9D H9D3 0.9600 . ?
C9C H9C1 0.9600 . ?
C9C H9C2 0.9600 . ?
C9C H9C3 0.9600 . ?
C12B H12D 0.9600 . ?
C12B H12E 0.9600 . ?
C12B H12F 0.9600 . ?
C7B C9B 1.496(10) . ?
C7B C8B 1.519(9) . ?
C12D H12G 0.9600 . ?
C12D H12H 0.9600 . ?
C12D H12I 0.9600 . ?
C8D H8D1 0.9600 . ?
C8D H8D2 0.9600 . ?
C8D H8D3 0.9600 . ?
C3B C2B 1.494(7) . ?
C3B H3B 0.9800 . ?
C12A H12J 0.9600 . ?
C12A H12K 0.9600 . ?
C12A H12L 0.9600 . ?
C11C H11D 0.9600 . ?
C11C H11E 0.9600 . ?
C11C H11F 0.9600 . ?
C11B H11G 0.9600 . ?
C11B H11H 0.9600 . ?
C11B H11I 0.9600 . ?
C2B H2B 0.9800 . ?
C7A C8A 1.460(12) . ?
C7A C9A 1.536(10) . ?
C11A H11J 0.9600 . ?
C11A H11K 0.9600 . ?
C11A H11L 0.9600 . ?
C9B H9B1 0.9600 . ?
C9B H9B2 0.9600 . ?
C9B H9B3 0.9600 . ?
C8B H8B1 0.9600 . ?
C8B H8B2 0.9600 . ?
C8B H8B3 0.9600 . ?
C8A H8A1 0.9600 . ?
C8A H8A2 0.9600 . ?
C8A H8A3 0.9600 . ?
C9A H9A1 0.9600 . ?
C9A H9A2 0.9600 . ?
C9A H9A3 0.9600 . ?
C1L1 C4L1 1.520(18) . ?
C1L1 C3L1 1.517(19) . ?
C1L1 C2L1 1.565(18) . ?
C2L1 C3L1 1.78(4) . ?
C4L2 C1L2 1.53(2) . ?
C4L2 C3L2 1.89(3) . ?
C2L2 C1L2 1.52(2) . ?
C2L2 C3L2 2.02(4) . ?
C3L2 C1L2 1.50(2) . ?
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
P4 Se1 Se2 P3 -71.36(4) . . . . ?
Se1 Se2 P3 O6A -29.26(12) . . . . ?
Se1 Se2 P3 O6D 74.80(10) . . . . ?
Se1 Se2 P3 S1 -158.15(6) . . . . ?
Se2 Se1 P4 O6B -31.39(12) . . . . ?
Se2 Se1 P4 O6C 72.95(11) . . . . ?
Se2 Se1 P4 S2 -160.07(6) . . . . ?
O6D P3 O6A C6A 178.8(3) . . . . ?
S1 P3 O6A C6A 51.8(3) . . . . ?
Se2 P3 O6A C6A -69.3(3) . . . . ?
O6C P4 O6B C6B -176.0(3) . . . . ?
S2 P4 O6B C6B 56.7(3) . . . . ?
Se1 P4 O6B C6B -62.8(3) . . . . ?
O6B P4 O6C C6C -175.8(3) . . . . ?
S2 P4 O6C C6C -47.2(3) . . . . ?
Se1 P4 O6C C6C 71.7(3) . . . . ?
P4 O6C C6C C5C 175.4(2) . . . . ?
P4 O6B C6B C5B -148.7(3) . . . . ?
O6A P3 O6D C6D -177.6(3) . . . . ?
S1 P3 O6D C6D -49.8(3) . . . . ?
Se2 P3 O6D C6D 70.1(3) . . . . ?
C1C O1C C5C C4C 68.7(5) . . . . ?
C1C O1C C5C C6C -169.0(4) . . . . ?
O3C C4C C5C O1C 69.9(4) . . . . ?
C3C C4C C5C O1C -45.0(4) . . . . ?
O3C C4C C5C C6C -48.5(4) . . . . ?
C3C C4C C5C C6C -163.3(3) . . . . ?
O6C C6C C5C O1C 179.7(3) . . . . ?
O6C C6C C5C C4C -59.3(4) . . . . ?
C5A C4A O3A C10A -129.6(4) . . . . ?
C3A C4A O3A C10A -10.1(5) . . . . ?
O3A C4A C5A O1A 70.5(4) . . . . ?
C3A C4A C5A O1A -44.1(5) . . . . ?
O3A C4A C5A C6A -46.9(4) . . . . ?
C3A C4A C5A C6A -161.5(4) . . . . ?
C6A C5A O1A C1A -167.7(4) . . . . ?
C4A C5A O1A C1A 69.4(5) . . . . ?
C1D O1D C5D C6D -171.6(4) . . . . ?
C1D O1D C5D C4D 68.4(5) . . . . ?
O3D C4D C5D O1D 70.8(4) . . . . ?
C3D C4D C5D O1D -45.4(5) . . . . ?
O3D C4D C5D C6D -45.4(4) . . . . ?
C3D C4D C5D C6D -161.6(3) . . . . ?
P3 O6D C6D C5D 175.9(3) . . . . ?
O1D C5D C6D O6D -178.8(3) . . . . ?
C4D C5D C6D O6D -60.7(4) . . . . ?
P3 O6A C6A C5A -141.5(3) . . . . ?
O1A C5A C6A O6A 178.1(3) . . . . ?
C4A C5A C6A O6A -61.7(4) . . . . ?
C7D O2D C2D C3D 157.3(4) . . . . ?
C7D O2D C2D C1D 35.1(4) . . . . ?
C2C O2C C7C O1'C -31.0(4) . . . . ?
C2C O2C C7C C8C -147.8(4) . . . . ?
C2C O2C C7C C9C 85.2(5) . . . . ?
C1C O1'C C7C O2C 14.0(5) . . . . ?
C1C O1'C C7C C8C 131.4(5) . . . . ?
C1C O1'C C7C C9C -103.2(5) . . . . ?
C1B O1B C5B C4B 70.5(4) . . . . ?
C1B O1B C5B C6B -167.7(4) . . . . ?
O6B C6B C5B O1B 177.0(3) . . . . ?
O6B C6B C5B C4B -63.3(4) . . . . ?
C5C C4C O3C C10C -125.2(4) . . . 1_445 ?
C3C C4C O3C C10C -6.0(5) . . . 1_445 ?
C7C O2C C2C C3C 156.6(3) . . . . ?
C7C O2C C2C C1C 34.6(4) . . . . ?
O2C C2C C3C O4C 172.7(3) . . . 1_445 ?
C1C C2C C3C O4C -72.7(4) . . . 1_445 ?
O2C C2C C3C C4C -73.4(5) . . . . ?
C1C C2C C3C C4C 41.2(5) . . . . ?
O3C C4C C3C O4C -10.2(4) . . . 1_445 ?
C5C C4C C3C O4C 108.0(4) . . . 1_445 ?
O3C C4C C3C C2C -126.0(4) . . . . ?
C5C C4C C3C C2C -7.8(5) . . . . ?
C5D C4D O3D C10D -123.7(4) . . . . ?
C3D C4D O3D C10D -3.2(5) . . . . ?
C10D O4D C3D C2D 143.7(4) . . . . ?
C10D O4D C3D C4D 23.1(5) . . . . ?
O2D C2D C3D O4D 173.4(3) . . . . ?
C1D C2D C3D O4D -71.3(4) . . . . ?
O2D C2D C3D C4D -73.5(5) . . . . ?
C1D C2D C3D C4D 41.8(5) . . . . ?
O3D C4D C3D O4D -11.8(4) . . . . ?
C5D C4D C3D O4D 107.9(4) . . . . ?
O3D C4D C3D C2D -126.7(4) . . . . ?
C5D C4D C3D C2D -6.9(5) . . . . ?
C3D O4D C10D O3D -25.5(5) . . . . ?
C3D O4D C10D C11D -143.0(5) . . . . ?
C3D O4D C10D C12D 91.5(5) . . . . ?
C4D O3D C10D O4D 17.3(5) . . . . ?
C4D O3D C10D C11D 135.6(5) . . . . ?
C4D O3D C10D C12D -99.8(5) . . . . ?
C7C O1'C C1C O1C -116.2(4) . . . . ?
C7C O1'C C1C C2C 6.5(5) . . . . ?
C5C O1C C1C O1'C 84.1(4) . . . . ?
C5C O1C C1C C2C -32.4(5) . . . . ?
O2C C2C C1C O1'C -24.7(4) . . . . ?
C3C C2C C1C O1'C -143.7(4) . . . . ?
O2C C2C C1C O1C 96.5(4) . . . . ?
C3C C2C C1C O1C -22.4(5) . . . . ?
C3B O4B C10B O3B -34.0(5) . . . . ?
C3B O4B C10B C12B -148.6(5) . . . . ?
C3B O4B C10B C11B 83.8(5) . . . . ?
C4B O3B C10B O4B 28.0(5) . . . . ?
C4B O3B C10B C12B 143.1(5) . . . . ?
C4B O3B C10B C11B -89.8(5) . . . . ?
C10A O4A C3A C2A 148.9(4) . . . . ?
C10A O4A C3A C4A 26.0(5) . . . . ?
O3A C4A C3A O4A -9.5(5) . . . . ?
C5A C4A C3A O4A 109.0(4) . . . . ?
O3A C4A C3A C2A -128.1(5) . . . . ?
C5A C4A C3A C2A -9.7(6) . . . . ?
C3C O4C C10C O3C -27.1(5) 1_665 . . 1_665 ?
C3C O4C C10C C12C 92.5(5) 1_665 . . . ?
C3C O4C C10C C11C -143.8(5) 1_665 . . . ?
C7A O2A C2A C3A 154.4(5) . . . . ?
C7A O2A C2A C1A 31.9(5) . . . . ?
O4A C3A C2A O2A 169.4(4) . . . . ?
C4A C3A C2A O2A -74.1(5) . . . . ?
O4A C3A C2A C1A -74.0(5) . . . . ?
C4A C3A C2A C1A 42.5(6) . . . . ?
C3A O4A C10A O3A -32.7(5) . . . . ?
C3A O4A C10A C12A 85.8(5) . . . . ?
C3A O4A C10A C11A -147.5(4) . . . . ?
C4A O3A C10A O4A 26.3(5) . . . . ?
C4A O3A C10A C12A -93.7(5) . . . . ?
C4A O3A C10A C11A 141.3(5) . . . . ?
C1D O1'D C7D O2D 14.0(5) . . . . ?
C1D O1'D C7D C8D 130.1(5) . . . . ?
C1D O1'D C7D C9D -104.1(6) . . . . ?
C2D O2D C7D O1'D -31.1(5) . . . . ?
C2D O2D C7D C8D -147.4(4) . . . . ?
C2D O2D C7D C9D 86.7(5) . . . . ?
C5B O1B C1B O1'B 80.3(5) . . . . ?
C5B O1B C1B C2B -38.8(6) . . . . ?
C7B O1'B C1B O1B -125.2(5) . . . . ?
C7B O1'B C1B C2B -0.9(6) . . . . ?
C10B O3B C4B C5B -131.2(4) . . . . ?
C10B O3B C4B C3B -11.8(5) . . . . ?
O1B C5B C4B O3B 71.1(4) . . . . ?
C6B C5B C4B O3B -43.8(4) . . . . ?
O1B C5B C4B C3B -43.8(5) . . . . ?
C6B C5B C4B C3B -158.7(4) . . . . ?
C5A O1A C1A O1'A 80.8(5) . . . . ?
C5A O1A C1A C2A -34.4(6) . . . . ?
C7A O1'A C1A O1A -120.2(5) . . . . ?
C7A O1'A C1A C2A 2.5(6) . . . . ?
O2A C2A C1A O1A 98.6(5) . . . . ?
C3A C2A C1A O1A -21.1(6) . . . . ?
O2A C2A C1A O1'A -20.7(5) . . . . ?
C3A C2A C1A O1'A -140.4(4) . . . . ?
C7D O1'D C1D O1D -117.1(4) . . . . ?
C7D O1'D C1D C2D 7.0(5) . . . . ?
C5D O1D C1D O1'D 85.5(4) . . . . ?
C5D O1D C1D C2D -32.2(6) . . . . ?
O2D C2D C1D O1'D -25.9(4) . . . . ?
C3D C2D C1D O1'D -144.7(4) . . . . ?
O2D C2D C1D O1D 95.5(5) . . . . ?
C3D C2D C1D O1D -23.3(6) . . . . ?
C1B O1'B C7B O2B 21.0(6) . . . . ?
C1B O1'B C7B C9B 137.5(5) . . . . ?
C1B O1'B C7B C8B -98.1(6) . . . . ?
C2B O2B C7B O1'B -33.5(6) . . . . ?
C2B O2B C7B C9B -150.9(5) . . . . ?
C2B O2B C7B C8B 83.9(6) . . . . ?
C10B O4B C3B C2B 149.7(4) . . . . ?
C10B O4B C3B C4B 26.5(5) . . . . ?
O3B C4B C3B O4B -8.7(5) . . . . ?
C5B C4B C3B O4B 109.8(4) . . . . ?
O3B C4B C3B C2B -125.9(5) . . . . ?
C5B C4B C3B C2B -7.4(6) . . . . ?
C7B O2B C2B C3B 154.6(4) . . . . ?
C7B O2B C2B C1B 32.2(5) . . . . ?
O4B C3B C2B O2B 167.1(4) . . . . ?
C4B C3B C2B O2B -77.2(5) . . . . ?
O4B C3B C2B C1B -79.1(6) . . . . ?
C4B C3B C2B C1B 36.6(7) . . . . ?
O1B C1B C2B O2B 102.8(5) . . . . ?
O1'B C1B C2B O2B -19.2(5) . . . . ?
O1B C1B C2B C3B -13.6(7) . . . . ?
O1'B C1B C2B C3B -135.7(5) . . . . ?
C2A O2A C7A O1'A -30.4(7) . . . . ?
C2A O2A C7A C8A -149.1(6) . . . . ?
C2A O2A C7A C9A 84.9(7) . . . . ?
C1A O1'A C7A O2A 16.7(7) . . . . ?
C1A O1'A C7A C8A 135.2(6) . . . . ?
C1A O1'A C7A C9A -97.6(6) . . . . ?
C4L1 C1L1 C2L1 C3L1 -102(3) . . . . ?
C4L1 C1L1 C3L1 C2L1 92(2) . . . . ?
C1L2 C4L2 C3L2 C2L2 -36(2) . . . . ?
C1L2 C2L2 C3L2 C4L2 38(3) . . . . ?
C4L2 C3L2 C1L2 C2L2 -129(4) . . . . ?
C2L2 C3L2 C1L2 C4L2 129(4) . . . . ?
C3L2 C2L2 C1L2 C4L2 -70(3) . . . . ?
C3L2 C4L2 C1L2 C2L2 73(3) . . . . ?
