#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/09/7010914.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_7010914
loop_
_publ_author_name
'Wilton-Ely, James D. E. T.'
'Schier, Annette'
'Schmidbaur, Hubert'
_publ_section_title
;
 Silver(i) coordination by variants of the bis(diphenylphosphino)amine
 chalcogenide ligandElectronic supplementary information (ESI)
 available: tables of crystal data. See
 http://www.rsc.org/suppdata/dt/b1/b105154g/
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3647
_journal_paper_doi               10.1039/b105154g
_journal_year                    2001
_chemical_formula_sum            'C54 H54 Ag2 Br2 N2 O2 P4 S2 Se2'
_chemical_formula_weight         1484.47
_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 (CH), difmap (NH and OH)'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.776(1)
_cell_angle_beta                 92.204(1)
_cell_angle_gamma                106.653(1)
_cell_formula_units_Z            1
_cell_length_a                   10.6362(1)
_cell_length_b                   10.8018(2)
_cell_length_c                   12.8637(2)
_cell_measurement_reflns_used    116262
_cell_measurement_temperature    143(2)
_cell_volume                     1398.25(4)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       XPRESS
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'NONIUS DIP 2020'
_diffrn_measurement_method       phi-rotation
_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  0.044
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            116262
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    3.662
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    'riding (CH), isotropical (NH), Uisofix (OH)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0279
_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)+(0.0220P)²+1.7867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0679
_reflns_number_gt                5294
_reflns_number_total             5709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b105154g.txt
_cod_data_source_block           jam26
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010914
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_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
Ag Ag 0.46555(2) 0.41723(2) 0.606874(16) 0.02252(7) Uani 1 1 d . . .
Br Br 0.67899(3) 0.61277(3) 0.57793(2) 0.02090(7) Uani 1 1 d . . .
Se1 Se 0.51440(4) 0.18922(4) 0.61644(3) 0.01913(9) Uani 0.50 1 d P . .
Se2 Se 0.40832(4) 0.47246(3) 0.80026(3) 0.01588(9) Uani 0.50 1 d P . .
S1 S 0.51440(4) 0.18922(4) 0.61644(3) 0.01913(9) Uani 0.50 1 d P . .
S2 S 0.40832(4) 0.47246(3) 0.80026(3) 0.01588(9) Uani 0.50 1 d P . .
P1 P 0.38867(6) 0.12206(6) 0.72900(5) 0.01060(12) Uani 1 1 d . . .
P2 P 0.24193(6) 0.31657(6) 0.80022(5) 0.01082(13) Uani 1 1 d . . .
N N 0.2536(2) 0.1722(2) 0.74009(17) 0.0121(4) Uani 1 1 d . . .
C111 C 0.4714(3) 0.1622(2) 0.8598(2) 0.0169(5) Uani 1 1 d . . .
C112 C 0.6026(3) 0.2361(3) 0.8766(3) 0.0313(7) Uani 1 1 d . . .
H11A H 0.6497 0.2677 0.8196 0.038 Uiso 1 1 calc R . .
C113 C 0.6647(4) 0.2637(3) 0.9787(3) 0.0477(11) Uani 1 1 d . . .
H11B H 0.7547 0.3141 0.9909 0.057 Uiso 1 1 calc R . .
C114 C 0.5965(5) 0.2184(4) 1.0612(3) 0.0480(11) Uani 1 1 d . . .
H11C H 0.6393 0.2383 1.1302 0.058 Uiso 1 1 calc R . .
C115 C 0.4672(4) 0.1447(4) 1.0446(2) 0.0399(9) Uani 1 1 d . . .
H11D H 0.4208 0.1138 1.1021 0.048 Uiso 1 1 calc R . .
C116 C 0.4034(3) 0.1150(3) 0.9437(2) 0.0256(6) Uani 1 1 d . . .
H11E H 0.3140 0.0629 0.9321 0.031 Uiso 1 1 calc R . .
C121 C 0.3207(2) -0.0542(2) 0.70216(19) 0.0123(5) Uani 1 1 d . . .
C122 C 0.2016(3) -0.1202(3) 0.7377(2) 0.0184(5) Uani 1 1 d . . .
H12A H 0.1511 -0.0725 0.7757 0.022 Uiso 1 1 calc R . .
C123 C 0.1567(3) -0.2561(3) 0.7176(2) 0.0227(6) Uani 1 1 d . . .
H12B H 0.0744 -0.3010 0.7405 0.027 Uiso 1 1 calc R . .
C124 C 0.2311(3) -0.3261(3) 0.6645(2) 0.0206(6) Uani 1 1 d . . .
H12C H 0.2006 -0.4189 0.6521 0.025 Uiso 1 1 calc R . .
C125 C 0.3493(3) -0.2617(3) 0.6294(2) 0.0211(6) Uani 1 1 d . . .
H12D H 0.4004 -0.3102 0.5931 0.025 Uiso 1 1 calc R . .
C126 C 0.3942(3) -0.1255(2) 0.6471(2) 0.0164(5) Uani 1 1 d . . .
H12E H 0.4750 -0.0812 0.6217 0.020 Uiso 1 1 calc R . .
C211 C 0.0991(2) 0.3338(2) 0.7304(2) 0.0137(5) Uani 1 1 d . . .
C212 C 0.0861(3) 0.3075(2) 0.6211(2) 0.0171(5) Uani 1 1 d . . .
H21A H 0.1467 0.2719 0.5845 0.021 Uiso 1 1 calc R . .
C213 C -0.0156(3) 0.3333(3) 0.5655(2) 0.0256(6) Uani 1 1 d . . .
H21B H -0.0246 0.3149 0.4908 0.031 Uiso 1 1 calc R . .
C214 C -0.1039(3) 0.3859(3) 0.6184(3) 0.0292(7) Uani 1 1 d . . .
H21C H -0.1733 0.4036 0.5801 0.035 Uiso 1 1 calc R . .
C215 C -0.0906(3) 0.4126(3) 0.7270(3) 0.0292(7) Uani 1 1 d . . .
H21D H -0.1514 0.4486 0.7632 0.035 Uiso 1 1 calc R . .
C216 C 0.0106(3) 0.3874(3) 0.7841(2) 0.0213(6) Uani 1 1 d . . .
H21E H 0.0195 0.4064 0.8588 0.026 Uiso 1 1 calc R . .
C221 C 0.1995(3) 0.2963(2) 0.9332(2) 0.0146(5) Uani 1 1 d . . .
C222 C 0.2791(3) 0.3747(3) 1.0197(2) 0.0186(5) Uani 1 1 d . . .
H22A H 0.3543 0.4436 1.0096 0.022 Uiso 1 1 calc R . .
C223 C 0.2487(3) 0.3523(3) 1.1206(2) 0.0238(6) Uani 1 1 d . . .
H22B H 0.3036 0.4054 1.1796 0.029 Uiso 1 1 calc R . .
C224 C 0.1389(3) 0.2531(3) 1.1356(2) 0.0271(6) Uani 1 1 d . . .
H22C H 0.1182 0.2382 1.2049 0.032 Uiso 1 1 calc R . .
C225 C 0.0585(3) 0.1751(3) 1.0494(2) 0.0311(7) Uani 1 1 d . . .
H22D H -0.0174 0.1073 1.0600 0.037 Uiso 1 1 calc R . .
C226 C 0.0887(3) 0.1956(3) 0.9481(2) 0.0235(6) Uani 1 1 d . . .
H22E H 0.0343 0.1415 0.8892 0.028 Uiso 1 1 calc R . .
C1 C -0.1376(3) 0.0009(3) 0.6622(2) 0.0229(6) Uani 1 1 d . . .
O1 O -0.0235(2) 0.0152(2) 0.69081(18) 0.0287(5) Uani 1 1 d . . .
C2 C -0.1847(3) -0.0065(3) 0.5507(3) 0.0357(8) Uani 1 1 d . . .
H2A H -0.1101 0.0035 0.5068 0.053 Uiso 1 1 calc R . .
H2B H -0.2250 0.0634 0.5446 0.053 Uiso 1 1 calc R . .
H2C H -0.2500 -0.0915 0.5270 0.053 Uiso 1 1 calc R . .
C3 C -0.2402(3) -0.0128(4) 0.7392(3) 0.0400(8) Uani 1 1 d . . .
H3A H -0.1992 -0.0071 0.8100 0.060 Uiso 1 1 calc R . .
H3B H -0.3072 -0.0977 0.7201 0.060 Uiso 1 1 calc R . .
H3C H -0.2814 0.0574 0.7383 0.060 Uiso 1 1 calc R . .
H H 0.194(4) 0.134(3) 0.713(3) 0.020(9) Uiso 1 1 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'
N N 0.0061 0.0033 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 '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
S2 Ag Se2 0.000(16) . . ?
S2 Ag S1 100.089(13) . . ?
Se2 Ag S1 100.089(13) . . ?
S2 Ag Se1 100.089(13) . . ?
Se2 Ag Se1 100.089(13) . . ?
S1 Ag Se1 0.000(3) . . ?
S2 Ag Br 106.245(12) . . ?
Se2 Ag Br 106.245(12) . . ?
S1 Ag Br 114.052(13) . . ?
Se1 Ag Br 114.052(13) . . ?
S2 Ag Br 130.183(14) . 2_666 ?
Se2 Ag Br 130.183(14) . 2_666 ?
S1 Ag Br 106.517(13) . 2_666 ?
Se1 Ag Br 106.517(13) . 2_666 ?
Br Ag Br 100.233(10) . 2_666 ?
Ag Br Ag 79.767(10) . 2_666 ?
P1 Se1 Ag 99.41(2) . . ?
P2 Se2 Ag 98.70(2) . . ?
P1 S1 Ag 99.41(2) . . ?
P2 S2 Ag 98.70(2) . . ?
N P1 C111 105.12(12) . . ?
N P1 C121 102.66(11) . . ?
C111 P1 C121 107.07(12) . . ?
N P1 Se1 118.12(8) . . ?
C111 P1 Se1 112.17(10) . . ?
C121 P1 Se1 110.76(8) . . ?
N P1 S1 118.12(8) . . ?
C111 P1 S1 112.17(10) . . ?
C121 P1 S1 110.76(8) . . ?
Se1 P1 S1 0.000(14) . . ?
N P2 C211 102.98(11) . . ?
N P2 C221 107.47(11) . . ?
C211 P2 C221 106.85(12) . . ?
N P2 Se2 114.59(8) . . ?
C211 P2 Se2 113.28(8) . . ?
C221 P2 Se2 111.06(9) . . ?
N P2 S2 114.59(8) . . ?
C211 P2 S2 113.28(8) . . ?
C221 P2 S2 111.06(9) . . ?
Se2 P2 S2 0.00(3) . . ?
P1 N P2 128.27(14) . . ?
P1 N H 120(3) . . ?
P2 N H 112(3) . . ?
C112 C111 C116 120.0(3) . . ?
C112 C111 P1 120.5(2) . . ?
C116 C111 P1 119.5(2) . . ?
C111 C112 C113 119.2(4) . . ?
C111 C112 H11A 120.4 . . ?
C113 C112 H11A 120.4 . . ?
C114 C113 C112 120.4(4) . . ?
C114 C113 H11B 119.8 . . ?
C112 C113 H11B 119.8 . . ?
C115 C114 C113 120.4(3) . . ?
C115 C114 H11C 119.8 . . ?
C113 C114 H11C 119.8 . . ?
C114 C115 C116 120.2(4) . . ?
C114 C115 H11D 119.9 . . ?
C116 C115 H11D 119.9 . . ?
C111 C116 C115 119.7(3) . . ?
C111 C116 H11E 120.2 . . ?
C115 C116 H11E 120.2 . . ?
C122 C121 C126 119.5(2) . . ?
C122 C121 P1 122.53(19) . . ?
C126 C121 P1 117.95(19) . . ?
C121 C122 C123 119.8(2) . . ?
C121 C122 H12A 120.1 . . ?
C123 C122 H12A 120.1 . . ?
C124 C123 C122 120.3(3) . . ?
C124 C123 H12B 119.8 . . ?
C122 C123 H12B 119.8 . . ?
C125 C124 C123 120.2(2) . . ?
C125 C124 H12C 119.9 . . ?
C123 C124 H12C 119.9 . . ?
C124 C125 C126 120.0(2) . . ?
C124 C125 H12D 120.0 . . ?
C126 C125 H12D 120.0 . . ?
C125 C126 C121 120.1(2) . . ?
C125 C126 H12E 120.0 . . ?
C121 C126 H12E 120.0 . . ?
C212 C211 C216 120.0(2) . . ?
C212 C211 P2 119.0(2) . . ?
C216 C211 P2 120.6(2) . . ?
C213 C212 C211 119.9(3) . . ?
C213 C212 H21A 120.0 . . ?
C211 C212 H21A 120.0 . . ?
C214 C213 C212 120.3(3) . . ?
C214 C213 H21B 119.8 . . ?
C212 C213 H21B 119.8 . . ?
C215 C214 C213 119.7(3) . . ?
C215 C214 H21C 120.1 . . ?
C213 C214 H21C 120.1 . . ?
C214 C215 C216 120.8(3) . . ?
C214 C215 H21D 119.6 . . ?
C216 C215 H21D 119.6 . . ?
C215 C216 C211 119.2(3) . . ?
C215 C216 H21E 120.4 . . ?
C211 C216 H21E 120.4 . . ?
C222 C221 C226 120.0(2) . . ?
C222 C221 P2 121.0(2) . . ?
C226 C221 P2 118.9(2) . . ?
C223 C222 C221 119.9(3) . . ?
C223 C222 H22A 120.0 . . ?
C221 C222 H22A 120.0 . . ?
C224 C223 C222 120.2(3) . . ?
C224 C223 H22B 119.9 . . ?
C222 C223 H22B 119.9 . . ?
C223 C224 C225 120.0(3) . . ?
C223 C224 H22C 120.0 . . ?
C225 C224 H22C 120.0 . . ?
C226 C225 C224 120.3(3) . . ?
C226 C225 H22D 119.9 . . ?
C224 C225 H22D 119.9 . . ?
C225 C226 C221 119.5(3) . . ?
C225 C226 H22E 120.2 . . ?
C221 C226 H22E 120.2 . . ?
O1 C1 C2 123.2(3) . . ?
O1 C1 C3 120.8(3) . . ?
C2 C1 C3 116.0(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
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
Ag S2 2.6150(4) . ?
Ag Se2 2.6150(4) . ?
Ag S1 2.6761(4) . ?
Ag Se1 2.6761(4) . ?
Ag Br 2.6987(3) . ?
Ag Br 2.7102(3) 2_666 ?
Br Ag 2.7102(3) 2_666 ?
Se1 P1 2.0708(7) . ?
Se2 P2 2.0638(7) . ?
S1 P1 2.0708(7) . ?
S2 P2 2.0638(7) . ?
P1 N 1.679(2) . ?
P1 C111 1.806(3) . ?
P1 C121 1.812(2) . ?
P2 N 1.684(2) . ?
P2 C211 1.804(3) . ?
P2 C221 1.812(3) . ?
N H 0.70(3) . ?
C111 C112 1.387(4) . ?
C111 C116 1.394(4) . ?
C112 C113 1.402(5) . ?
C112 H11A 0.9500 . ?
C113 C114 1.375(6) . ?
C113 H11B 0.9500 . ?
C114 C115 1.369(6) . ?
C114 H11C 0.9500 . ?
C115 C116 1.394(4) . ?
C115 H11D 0.9500 . ?
C116 H11E 0.9500 . ?
C121 C122 1.392(4) . ?
C121 C126 1.395(3) . ?
C122 C123 1.392(4) . ?
C122 H12A 0.9500 . ?
C123 C124 1.382(4) . ?
C123 H12B 0.9500 . ?
C124 C125 1.377(4) . ?
C124 H12C 0.9500 . ?
C125 C126 1.394(4) . ?
C125 H12D 0.9500 . ?
C126 H12E 0.9500 . ?
C211 C212 1.390(4) . ?
C211 C216 1.397(4) . ?
C212 C213 1.388(4) . ?
C212 H21A 0.9500 . ?
C213 C214 1.385(5) . ?
C213 H21B 0.9500 . ?
C214 C215 1.382(5) . ?
C214 H21C 0.9500 . ?
C215 C216 1.391(4) . ?
C215 H21D 0.9500 . ?
C216 H21E 0.9500 . ?
C221 C222 1.390(4) . ?
C221 C226 1.396(4) . ?
C222 C223 1.386(4) . ?
C222 H22A 0.9500 . ?
C223 C224 1.381(4) . ?
C223 H22B 0.9500 . ?
C224 C225 1.390(5) . ?
C224 H22C 0.9500 . ?
C225 C226 1.385(4) . ?
C225 H22D 0.9500 . ?
C226 H22E 0.9500 . ?
C1 O1 1.215(4) . ?
C1 C2 1.485(4) . ?
C1 C3 1.491(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
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
S2 Ag Br Ag -137.353(15) . . . 2_666 ?
Se2 Ag Br Ag -137.353(15) . . . 2_666 ?
S1 Ag Br Ag 113.387(15) . . . 2_666 ?
Se1 Ag Br Ag 113.387(15) . . . 2_666 ?
Br Ag Br Ag 0.0 2_666 . . 2_666 ?
S2 Ag Se1 P1 30.55(2) . . . . ?
Se2 Ag Se1 P1 30.55(2) . . . . ?
S1 Ag Se1 P1 0(8) . . . . ?
Br Ag Se1 P1 143.54(2) . . . . ?
Br Ag Se1 P1 -106.88(2) 2_666 . . . ?
S2 Ag Se2 P2 0.0(9) . . . . ?
S1 Ag Se2 P2 -63.34(2) . . . . ?
Se1 Ag Se2 P2 -63.34(2) . . . . ?
Br Ag Se2 P2 177.78(2) . . . . ?
Br Ag Se2 P2 58.55(3) 2_666 . . . ?
S2 Ag S1 P1 30.55(2) . . . . ?
Se2 Ag S1 P1 30.55(2) . . . . ?
Se1 Ag S1 P1 0(8) . . . . ?
Br Ag S1 P1 143.54(2) . . . . ?
Br Ag S1 P1 -106.88(2) 2_666 . . . ?
Se2 Ag S2 P2 0.0(9) . . . . ?
S1 Ag S2 P2 -63.34(2) . . . . ?
Se1 Ag S2 P2 -63.34(2) . . . . ?
Br Ag S2 P2 177.78(2) . . . . ?
Br Ag S2 P2 58.55(3) 2_666 . . . ?
Ag Se1 P1 N 27.68(9) . . . . ?
Ag Se1 P1 C111 -94.81(9) . . . . ?
Ag Se1 P1 C121 145.62(9) . . . . ?
Ag Se1 P1 S1 0(24) . . . . ?
Ag S1 P1 N 27.68(9) . . . . ?
Ag S1 P1 C111 -94.81(9) . . . . ?
Ag S1 P1 C121 145.62(9) . . . . ?
Ag S1 P1 Se1 0(24) . . . . ?
Ag Se2 P2 N 41.98(9) . . . . ?
Ag Se2 P2 C211 -75.77(9) . . . . ?
Ag Se2 P2 C221 163.97(9) . . . . ?
Ag Se2 P2 S2 0(50) . . . . ?
Ag S2 P2 N 41.98(9) . . . . ?
Ag S2 P2 C211 -75.77(9) . . . . ?
Ag S2 P2 C221 163.97(9) . . . . ?
Ag S2 P2 Se2 0(50) . . . . ?
C111 P1 N P2 47.3(2) . . . . ?
C121 P1 N P2 159.18(16) . . . . ?
Se1 P1 N P2 -78.67(17) . . . . ?
S1 P1 N P2 -78.67(17) . . . . ?
C211 P2 N P1 153.26(16) . . . . ?
C221 P2 N P1 -94.14(18) . . . . ?
Se2 P2 N P1 29.79(19) . . . . ?
S2 P2 N P1 29.79(19) . . . . ?
N P1 C111 C112 -126.3(2) . . . . ?
C121 P1 C111 C112 125.0(2) . . . . ?
Se1 P1 C111 C112 3.3(3) . . . . ?
S1 P1 C111 C112 3.3(3) . . . . ?
N P1 C111 C116 55.5(2) . . . . ?
C121 P1 C111 C116 -53.2(2) . . . . ?
Se1 P1 C111 C116 -174.89(19) . . . . ?
S1 P1 C111 C116 -174.89(19) . . . . ?
C116 C111 C112 C113 -0.7(4) . . . . ?
P1 C111 C112 C113 -178.9(2) . . . . ?
C111 C112 C113 C114 -0.2(5) . . . . ?
C112 C113 C114 C115 0.5(5) . . . . ?
C113 C114 C115 C116 0.0(5) . . . . ?
C112 C111 C116 C115 1.3(4) . . . . ?
P1 C111 C116 C115 179.4(2) . . . . ?
C114 C115 C116 C111 -0.9(5) . . . . ?
N P1 C121 C122 -28.4(2) . . . . ?
C111 P1 C121 C122 82.0(2) . . . . ?
Se1 P1 C121 C122 -155.42(19) . . . . ?
S1 P1 C121 C122 -155.42(19) . . . . ?
N P1 C121 C126 154.1(2) . . . . ?
C111 P1 C121 C126 -95.4(2) . . . . ?
Se1 P1 C121 C126 27.1(2) . . . . ?
S1 P1 C121 C126 27.1(2) . . . . ?
C126 C121 C122 C123 -0.4(4) . . . . ?
P1 C121 C122 C123 -177.8(2) . . . . ?
C121 C122 C123 C124 1.5(4) . . . . ?
C122 C123 C124 C125 -1.1(4) . . . . ?
C123 C124 C125 C126 -0.2(4) . . . . ?
C124 C125 C126 C121 1.2(4) . . . . ?
C122 C121 C126 C125 -0.9(4) . . . . ?
P1 C121 C126 C125 176.6(2) . . . . ?
N P2 C211 C212 -45.7(2) . . . . ?
C221 P2 C211 C212 -158.7(2) . . . . ?
Se2 P2 C211 C212 78.7(2) . . . . ?
S2 P2 C211 C212 78.7(2) . . . . ?
N P2 C211 C216 141.8(2) . . . . ?
C221 P2 C211 C216 28.7(2) . . . . ?
Se2 P2 C211 C216 -93.9(2) . . . . ?
S2 P2 C211 C216 -93.9(2) . . . . ?
C216 C211 C212 C213 -0.6(4) . . . . ?
P2 C211 C212 C213 -173.2(2) . . . . ?
C211 C212 C213 C214 0.3(4) . . . . ?
C212 C213 C214 C215 -0.1(5) . . . . ?
C213 C214 C215 C216 0.1(5) . . . . ?
C214 C215 C216 C211 -0.3(4) . . . . ?
C212 C211 C216 C215 0.6(4) . . . . ?
P2 C211 C216 C215 173.1(2) . . . . ?
N P2 C221 C222 122.3(2) . . . . ?
C211 P2 C221 C222 -127.8(2) . . . . ?
Se2 P2 C221 C222 -3.8(2) . . . . ?
S2 P2 C221 C222 -3.8(2) . . . . ?
N P2 C221 C226 -54.3(2) . . . . ?
C211 P2 C221 C226 55.6(2) . . . . ?
Se2 P2 C221 C226 179.6(2) . . . . ?
S2 P2 C221 C226 179.6(2) . . . . ?
C226 C221 C222 C223 0.3(4) . . . . ?
P2 C221 C222 C223 -176.2(2) . . . . ?
C221 C222 C223 C224 -0.6(4) . . . . ?
C222 C223 C224 C225 0.1(5) . . . . ?
C223 C224 C225 C226 0.6(5) . . . . ?
C224 C225 C226 C221 -0.8(5) . . . . ?
C222 C221 C226 C225 0.4(4) . . . . ?
P2 C221 C226 C225 177.0(2) . . . . ?
