#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007586.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_7007586
loop_
_publ_author_name
'Argent, Stephen P.'
'Adams, Harry'
'Riis-Johannessen, Thomas'
'Jeffery, John C.'
'Harding, Lindsay P.'
'Clegg, William'
'Harrington, Ross W.'
'Ward, Michael D.'
_publ_section_title
;
 Complexes of Ag(I), Hg(I) and Hg(II) with multidentate
 pyrazolyl-pyridine ligands: From mononuclear complexes to coordination
 polymers via helicates, a mesocate, a cage and a catenate.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4996
_journal_page_last               5013
_journal_paper_doi               10.1039/b607541j
_journal_year                    2006
_chemical_formula_sum            'C135 H131 Ag4 B4 F16 N25 O3'
_chemical_formula_weight         2930.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_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                 98.321(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.6570(10)
_cell_length_b                   14.6839(7)
_cell_length_c                   24.3229(12)
_cell_measurement_reflns_used    4741
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      42.86
_cell_measurement_theta_min      5.16
_cell_volume                     6593.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0691
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42909
_diffrn_reflns_theta_full        21.57
_diffrn_reflns_theta_max         21.57
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  0.9360
_exptl_absorpt_correction_T_min  0.9061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.864
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     819
_refine_ls_number_reflns         7638
_refine_ls_number_restraints     160
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0661
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1100P)²+29.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1772
_refine_ls_wR_factor_ref         0.2024
_reflns_number_gt                5361
_reflns_number_total             7638
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607541j.txt
_cod_data_source_block           imw619
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7007586
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
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
Ag1 Ag 0.66395(5) 0.53082(6) 0.05401(3) 0.0585(3) Uani 1 1 d . . .
Ag2 Ag 0.83604(4) 0.99063(5) -0.09695(3) 0.0538(3) Uani 1 1 d . . .
N11A N 0.8962(4) 1.0792(5) -0.1562(3) 0.0395(18) Uani 1 1 d . . .
C12A C 0.9283(5) 1.0312(6) -0.1936(4) 0.038(2) Uani 1 1 d . . .
C13A C 0.9613(5) 1.0738(6) -0.2343(4) 0.044(2) Uani 1 1 d . . .
H13A H 0.9847 1.0388 -0.2593 0.053 Uiso 1 1 calc R . .
C14A C 0.9598(5) 1.1674(7) -0.2380(4) 0.054(3) Uani 1 1 d . . .
H14A H 0.9805 1.1977 -0.2664 0.065 Uiso 1 1 calc R . .
C15A C 0.9280(6) 1.2163(7) -0.2001(5) 0.059(3) Uani 1 1 d . . .
H15A H 0.9277 1.2810 -0.2011 0.071 Uiso 1 1 calc R . .
C16A C 0.8959(5) 1.1698(7) -0.1597(4) 0.050(3) Uani 1 1 d . . .
H16A H 0.8732 1.2039 -0.1339 0.060 Uiso 1 1 calc R . .
N21A N 0.8898(4) 0.8936(5) -0.1522(3) 0.0332(17) Uani 1 1 d . . .
N22A N 0.9000(4) 0.8030(5) -0.1563(3) 0.0372(18) Uani 1 1 d . . .
C23A C 0.9456(5) 0.7854(7) -0.1941(4) 0.046(2) Uani 1 1 d . . .
H23A H 0.9618 0.7270 -0.2038 0.055 Uiso 1 1 calc R . .
C24A C 0.9635(5) 0.8663(6) -0.2152(4) 0.041(2) Uani 1 1 d . . .
H24A H 0.9942 0.8759 -0.2426 0.049 Uiso 1 1 calc R . .
C25A C 0.9280(4) 0.9317(6) -0.1887(3) 0.034(2) Uani 1 1 d . . .
C31A C 0.8661(5) 0.7403(6) -0.1220(3) 0.041(2) Uani 1 1 d . . .
H31A H 0.8677 0.6781 -0.1374 0.049 Uiso 1 1 calc R . .
H31B H 0.8146 0.7574 -0.1231 0.049 Uiso 1 1 calc R . .
C32A C 0.9024(5) 0.7400(5) -0.0626(4) 0.039(2) Uani 1 1 d . . .
C33A C 0.8642(5) 0.7656(5) -0.0201(4) 0.037(2) Uani 1 1 d . . .
H33A H 0.8155 0.7854 -0.0294 0.044 Uiso 1 1 calc R . .
C34A C 0.8949(5) 0.7631(5) 0.0358(3) 0.035(2) Uani 1 1 d . . .
C35A C 0.9670(5) 0.7361(6) 0.0481(4) 0.043(2) Uani 1 1 d . . .
H35A H 0.9896 0.7341 0.0856 0.052 Uiso 1 1 calc R . .
C36A C 1.0059(5) 0.7121(6) 0.0060(4) 0.051(3) Uani 1 1 d . . .
H36A H 1.0552 0.6945 0.0151 0.061 Uiso 1 1 calc R . .
C37A C 0.9742(5) 0.7132(6) -0.0490(4) 0.044(2) Uani 1 1 d . . .
H37A H 1.0014 0.6958 -0.0774 0.053 Uiso 1 1 calc R . .
C41A C 0.6547(5) 0.7801(6) 0.1046(4) 0.046(2) Uani 1 1 d . . .
H41A H 0.6300 0.8377 0.1118 0.055 Uiso 1 1 calc R . .
H41B H 0.6401 0.7642 0.0650 0.055 Uiso 1 1 calc R . .
C42A C 0.7348(5) 0.7954(6) 0.1147(4) 0.042(2) Uani 1 1 d . . .
C43A C 0.7774(5) 0.7705(5) 0.0732(3) 0.035(2) Uani 1 1 d . . .
H43A H 0.7548 0.7422 0.0401 0.042 Uiso 1 1 calc R . .
C44A C 0.8516(5) 0.7868(5) 0.0800(3) 0.035(2) Uani 1 1 d . . .
C45A C 0.8830(5) 0.8264(6) 0.1297(4) 0.045(2) Uani 1 1 d . . .
H45A H 0.9336 0.8377 0.1355 0.053 Uiso 1 1 calc R . .
C46A C 0.8420(6) 0.8499(6) 0.1714(4) 0.051(3) Uani 1 1 d . . .
H46A H 0.8647 0.8764 0.2052 0.062 Uiso 1 1 calc R . .
C47A C 0.7691(5) 0.8346(6) 0.1632(4) 0.047(2) Uani 1 1 d . . .
H47A H 0.7412 0.8513 0.1914 0.056 Uiso 1 1 calc R . .
N51A N 0.6244(4) 0.6224(5) 0.1221(3) 0.0405(18) Uani 1 1 d . . .
N52A N 0.6299(4) 0.7086(5) 0.1389(3) 0.0420(19) Uani 1 1 d . . .
C53A C 0.6102(5) 0.7173(7) 0.1904(4) 0.052(3) Uani 1 1 d . . .
H53A H 0.6110 0.7718 0.2116 0.063 Uiso 1 1 calc R . .
C54A C 0.5894(5) 0.6346(7) 0.2058(4) 0.051(3) Uani 1 1 d . . .
H54A H 0.5717 0.6194 0.2394 0.061 Uiso 1 1 calc R . .
C55A C 0.5991(5) 0.5755(6) 0.1624(4) 0.038(2) Uani 1 1 d . . .
N61A N 0.6057(4) 0.4388(5) 0.1106(3) 0.053(2) Uani 1 1 d . . .
C62A C 0.5852(5) 0.4770(6) 0.1555(4) 0.038(2) Uani 1 1 d . . .
C63A C 0.5525(5) 0.4283(7) 0.1934(4) 0.045(2) Uani 1 1 d . . .
H63A H 0.5381 0.4574 0.2249 0.054 Uiso 1 1 calc R . .
C64A C 0.5412(6) 0.3363(7) 0.1846(4) 0.057(3) Uani 1 1 d . . .
H64A H 0.5198 0.3010 0.2106 0.068 Uiso 1 1 calc R . .
C65A C 0.5605(6) 0.2964(7) 0.1389(5) 0.066(3) Uani 1 1 d . . .
H65A H 0.5526 0.2332 0.1322 0.080 Uiso 1 1 calc R . .
C66A C 0.5924(6) 0.3502(7) 0.1019(5) 0.072(3) Uani 1 1 d . . .
H66A H 0.6051 0.3228 0.0692 0.087 Uiso 1 1 calc R . .
N11B N 0.8578(4) 1.0241(5) -0.0007(3) 0.0432(19) Uani 1 1 d . . .
C12B C 0.8008(5) 1.0139(6) 0.0267(4) 0.041(2) Uani 1 1 d . . .
C13B C 0.8039(6) 1.0324(6) 0.0823(4) 0.047(2) Uani 1 1 d . . .
H13B H 0.7626 1.0234 0.1004 0.057 Uiso 1 1 calc R . .
C14B C 0.8669(6) 1.0637(7) 0.1110(4) 0.055(3) Uani 1 1 d . . .
H14B H 0.8703 1.0768 0.1496 0.066 Uiso 1 1 calc R . .
C15B C 0.9254(6) 1.0762(7) 0.0837(4) 0.056(3) Uani 1 1 d . . .
H15B H 0.9700 1.0984 0.1030 0.068 Uiso 1 1 calc R . .
C16B C 0.9186(5) 1.0563(6) 0.0286(4) 0.051(3) Uani 1 1 d . . .
H16B H 0.9592 1.0658 0.0099 0.061 Uiso 1 1 calc R . .
N21B N 0.7289(4) 0.9829(5) -0.0632(3) 0.0369(18) Uani 1 1 d . . .
N22B N 0.6591(4) 0.9646(5) -0.0829(3) 0.0405(19) Uani 1 1 d . . .
C23B C 0.6191(6) 0.9558(7) -0.0417(4) 0.054(3) Uani 1 1 d . . .
H23B H 0.5688 0.9422 -0.0458 0.065 Uiso 1 1 calc R . .
C24B C 0.6634(5) 0.9697(6) 0.0070(4) 0.050(3) Uani 1 1 d . . .
H24B H 0.6506 0.9684 0.0434 0.060 Uiso 1 1 calc R . .
C25B C 0.7322(5) 0.9866(6) -0.0078(4) 0.039(2) Uani 1 1 d . . .
C31B C 0.6376(5) 0.9554(6) -0.1427(4) 0.048(2) Uani 1 1 d . . .
H31C H 0.5843 0.9618 -0.1512 0.057 Uiso 1 1 calc R . .
H31D H 0.6596 1.0057 -0.1617 0.057 Uiso 1 1 calc R . .
C32B C 0.6593(5) 0.8670(6) -0.1654(4) 0.043(2) Uani 1 1 d . . .
C33B C 0.7067(5) 0.8643(6) -0.2042(4) 0.040(2) Uani 1 1 d . . .
H33B H 0.7276 0.9198 -0.2143 0.049 Uiso 1 1 calc R . .
C34B C 0.7253(5) 0.7840(6) -0.2290(4) 0.042(2) Uani 1 1 d . . .
C35B C 0.6940(6) 0.7046(7) -0.2115(5) 0.061(3) Uani 1 1 d . . .
H35B H 0.7046 0.6480 -0.2274 0.073 Uiso 1 1 calc R . .
C36B C 0.6487(6) 0.7059(7) -0.1723(5) 0.067(3) Uani 1 1 d . . .
H36B H 0.6295 0.6503 -0.1607 0.080 Uiso 1 1 calc R . .
C37B C 0.6310(6) 0.7844(7) -0.1499(4) 0.058(3) Uani 1 1 d . . .
H37B H 0.5986 0.7840 -0.1232 0.070 Uiso 1 1 calc R . .
C41B C 0.8565(5) 0.5529(6) 0.1348(4) 0.050(3) Uani 1 1 d . . .
H41C H 0.8217 0.6007 0.1423 0.061 Uiso 1 1 calc R . .
H41D H 0.9058 0.5741 0.1499 0.061 Uiso 1 1 calc R . .
C42B C 0.8404(5) 0.4670(6) 0.1642(4) 0.041(2) Uani 1 1 d . . .
C43B C 0.7902(5) 0.4659(6) 0.2009(4) 0.039(2) Uani 1 1 d . . .
H43B H 0.7647 0.5201 0.2069 0.047 Uiso 1 1 calc R . .
C44B C 0.7763(5) 0.3870(6) 0.2293(4) 0.038(2) Uani 1 1 d . . .
C45B C 0.8133(5) 0.3077(6) 0.2193(4) 0.049(3) Uani 1 1 d . . .
H45B H 0.8038 0.2530 0.2377 0.058 Uiso 1 1 calc R . .
C46B C 0.8636(5) 0.3077(7) 0.1830(4) 0.055(3) Uani 1 1 d . . .
H46B H 0.8889 0.2534 0.1768 0.066 Uiso 1 1 calc R . .
C47B C 0.8769(5) 0.3865(7) 0.1560(4) 0.052(3) Uani 1 1 d . . .
H47B H 0.9117 0.3862 0.1311 0.062 Uiso 1 1 calc R . .
N51B N 0.7860(4) 0.5365(5) 0.0429(3) 0.0432(19) Uani 1 1 d . . .
N52B N 0.8519(5) 0.5407(5) 0.0748(3) 0.046(2) Uani 1 1 d . . .
C53B C 0.9054(6) 0.5243(6) 0.0434(5) 0.052(3) Uani 1 1 d . . .
H53B H 0.9560 0.5225 0.0563 0.062 Uiso 1 1 calc R . .
C54B C 0.8737(6) 0.5114(6) -0.0089(4) 0.051(3) Uani 1 1 d . . .
H54B H 0.8973 0.4994 -0.0402 0.061 Uiso 1 1 calc R . .
C55B C 0.7990(5) 0.5190(6) -0.0086(4) 0.044(2) Uani 1 1 d . . .
N61B N 0.6704(5) 0.5108(5) -0.0392(3) 0.048(2) Uani 1 1 d . . .
C62B C 0.7379(6) 0.5062(6) -0.0528(4) 0.048(3) Uani 1 1 d . . .
C63B C 0.7492(6) 0.4900(6) -0.1078(4) 0.055(3) Uani 1 1 d . . .
H63B H 0.7967 0.4899 -0.1176 0.066 Uiso 1 1 calc R . .
C64B C 0.6895(7) 0.4741(7) -0.1476(4) 0.062(3) Uani 1 1 d . . .
H64B H 0.6957 0.4633 -0.1852 0.074 Uiso 1 1 calc R . .
C65B C 0.6226(7) 0.4739(7) -0.1331(4) 0.060(3) Uani 1 1 d . . .
H65B H 0.5817 0.4601 -0.1598 0.072 Uiso 1 1 calc R . .
C66B C 0.6140(6) 0.4937(7) -0.0793(5) 0.058(3) Uani 1 1 d . . .
H66B H 0.5664 0.4956 -0.0699 0.070 Uiso 1 1 calc R . .
B10 B 0.0855(5) 0.9874(6) 0.6585(4) 0.053(3) Uiso 0.328(16) 1 d PD A 1
F11 F 0.051(2) 0.950(3) 0.6104(11) 0.26(3) Uiso 0.328(16) 1 d PD A 1
F12 F 0.0611(11) 1.0715(9) 0.6694(8) 0.067(7) Uiso 0.328(16) 1 d PD A 1
F13 F 0.1583(8) 0.9847(19) 0.6559(12) 0.101(10) Uiso 0.328(16) 1 d PD A 1
F14 F 0.0741(14) 0.9227(12) 0.6987(9) 0.089(8) Uiso 0.328(16) 1 d PD A 1
B10' B 0.0855(5) 0.9874(6) 0.6585(4) 0.053(3) Uiso 0.67 1 d PD A 2
F11' F 0.0467(7) 1.0198(10) 0.6086(5) 0.126(5) Uiso 0.672(16) 1 d PD A 2
F12' F 0.1011(7) 1.0599(7) 0.6936(4) 0.086(4) Uiso 0.672(16) 1 d PD A 2
F13' F 0.1476(6) 0.9581(9) 0.6411(5) 0.087(4) Uiso 0.672(16) 1 d PD A 2
F14' F 0.0418(5) 0.9222(5) 0.6736(4) 0.053(3) Uiso 0.672(16) 1 d PD A 2
B20 B 0.4251(4) 0.5159(5) 0.3144(3) 0.036(3) Uiso 0.436(14) 1 d PD B 1
F21 F 0.4334(9) 0.4288(8) 0.2911(7) 0.090(6) Uiso 0.436(14) 1 d PD B 1
F22 F 0.4451(8) 0.4998(11) 0.3695(5) 0.085(6) Uiso 0.436(14) 1 d PD B 1
F23 F 0.4825(7) 0.5625(7) 0.2962(6) 0.041(4) Uiso 0.436(14) 1 d PD B 1
F24 F 0.3585(6) 0.5453(12) 0.2964(6) 0.070(5) Uiso 0.436(14) 1 d PD B 1
B20' B 0.4251(4) 0.5159(5) 0.3144(3) 0.036(3) Uiso 0.56 1 d PD B 2
F21' F 0.4539(7) 0.4349(8) 0.3312(7) 0.107(5) Uiso 0.564(14) 1 d PD B 2
F22' F 0.4568(7) 0.5629(7) 0.2766(5) 0.058(3) Uiso 0.564(14) 1 d PD B 2
F23' F 0.4236(6) 0.5692(8) 0.3621(4) 0.082(4) Uiso 0.564(14) 1 d PD B 2
F24' F 0.3538(5) 0.4977(10) 0.2921(5) 0.072(4) Uiso 0.564(14) 1 d PD B 2
O1 O 0.3523(4) 0.7338(5) 0.0171(3) 0.073(2) Uani 1 1 d . . .
C2 C 0.2805(6) 0.7684(7) 0.0015(5) 0.074(3) Uani 1 1 d . . .
H2 H 0.2846 0.8326 -0.0115 0.089 Uiso 1 1 calc R . .
C3 C 0.2381(7) 0.7699(9) 0.0505(6) 0.096(4) Uani 1 1 d . . .
H3A H 0.2325 0.7075 0.0636 0.144 Uiso 1 1 calc R . .
H3B H 0.1902 0.7967 0.0388 0.144 Uiso 1 1 calc R . .
H3C H 0.2644 0.8064 0.0806 0.144 Uiso 1 1 calc R . .
C4 C 0.2412(7) 0.7152(9) -0.0455(6) 0.096(4) Uani 1 1 d . . .
H4A H 0.2628 0.7271 -0.0792 0.143 Uiso 1 1 calc R . .
H4B H 0.1902 0.7334 -0.0516 0.143 Uiso 1 1 calc R . .
H4C H 0.2448 0.6501 -0.0366 0.143 Uiso 1 1 calc R . .
C5 C 0.4039(7) 0.7974(8) 0.0453(5) 0.076(3) Uani 1 1 d . . .
H5 H 0.3774 0.8522 0.0563 0.091 Uiso 1 1 calc R . .
C6 C 0.4437(8) 0.7523(10) 0.0978(5) 0.108(5) Uani 1 1 d . . .
H6A H 0.4084 0.7309 0.1210 0.162 Uiso 1 1 calc R . .
H6B H 0.4763 0.7966 0.1186 0.162 Uiso 1 1 calc R . .
H6C H 0.4720 0.7005 0.0873 0.162 Uiso 1 1 calc R . .
C7 C 0.4604(8) 0.8282(9) 0.0073(6) 0.105(5) Uani 1 1 d . . .
H7A H 0.4900 0.7759 -0.0005 0.157 Uiso 1 1 calc R . .
H7B H 0.4918 0.8756 0.0263 0.157 Uiso 1 1 calc R . .
H7C H 0.4349 0.8525 -0.0277 0.157 Uiso 1 1 calc R . .
O1S O 0.7403(10) 0.0671(10) 0.7653(7) 0.084(5) Uiso 0.50 1 d PD C -1
C2S C 0.7500 0.1386(12) 0.7500 0.111(7) Uiso 1 2 d SD C -1
H2S H 0.7706 0.1259 0.7173 0.134 Uiso 0.50 1 calc PR C -1
N3S N 0.7500 0.2241(8) 0.7500 0.062(3) Uiso 1 2 d SD . .
C4S C 0.7225(10) 0.2698(12) 0.7943(7) 0.150 Uiso 1 1 d D C .
H4S1 H 0.7125 0.2372 0.8266 0.225 Uiso 1 1 d R . .
H4S2 H 0.6797 0.3017 0.7780 0.225 Uiso 1 1 d R . .
H4S3 H 0.7608 0.3127 0.8049 0.225 Uiso 1 1 d 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
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
N61B Ag1 N61A 127.4(3) . . ?
N61B Ag1 N51B 72.5(3) . . ?
N61A Ag1 N51B 129.9(3) . . ?
N61B Ag1 N51A 146.9(3) . . ?
N61A Ag1 N51A 71.9(3) . . ?
N51B Ag1 N51A 118.4(3) . . ?
N21B Ag2 N21A 131.7(2) . . ?
N21B Ag2 N11A 140.8(2) . . ?
N21A Ag2 N11A 72.2(2) . . ?
N21B Ag2 N11B 71.8(3) . . ?
N21A Ag2 N11B 133.1(2) . . ?
N11A Ag2 N11B 117.6(3) . . ?
C16A N11A C12A 118.3(8) . . ?
C16A N11A Ag2 126.5(6) . . ?
C12A N11A Ag2 114.9(6) . . ?
N11A C12A C13A 121.9(8) . . ?
N11A C12A C25A 117.2(8) . . ?
C13A C12A C25A 120.9(8) . . ?
C14A C13A C12A 119.2(9) . . ?
C13A C14A C15A 119.1(9) . . ?
C14A C15A C16A 119.2(9) . . ?
N11A C16A C15A 122.2(9) . . ?
C25A N21A N22A 105.6(6) . . ?
C25A N21A Ag2 116.7(5) . . ?
N22A N21A Ag2 137.4(5) . . ?
N21A N22A C23A 110.2(7) . . ?
N21A N22A C31A 120.4(7) . . ?
C23A N22A C31A 129.4(8) . . ?
C24A C23A N22A 107.5(8) . . ?
C23A C24A C25A 105.8(8) . . ?
N21A C25A C24A 110.9(8) . . ?
N21A C25A C12A 118.6(7) . . ?
C24A C25A C12A 130.5(8) . . ?
N22A C31A C32A 112.5(7) . . ?
C33A C32A C37A 118.8(8) . . ?
C33A C32A C31A 120.3(8) . . ?
C37A C32A C31A 120.9(8) . . ?
C32A C33A C34A 122.3(8) . . ?
C35A C34A C33A 117.6(8) . . ?
C35A C34A C44A 121.6(8) . . ?
C33A C34A C44A 120.8(8) . . ?
C36A C35A C34A 120.5(9) . . ?
C35A C36A C37A 121.1(9) . . ?
C36A C37A C32A 119.6(9) . . ?
N52A C41A C42A 114.0(7) . . ?
C47A C42A C43A 118.4(9) . . ?
C47A C42A C41A 121.9(8) . . ?
C43A C42A C41A 119.6(8) . . ?
C44A C43A C42A 121.4(8) . . ?
C43A C44A C45A 117.5(8) . . ?
C43A C44A C34A 120.9(8) . . ?
C45A C44A C34A 121.6(8) . . ?
C44A C45A C46A 121.8(9) . . ?
C47A C46A C45A 119.4(9) . . ?
C46A C47A C42A 121.4(9) . . ?
C55A N51A N52A 106.6(7) . . ?
C55A N51A Ag1 113.8(6) . . ?
N52A N51A Ag1 138.4(5) . . ?
N51A N52A C53A 110.6(7) . . ?
N51A N52A C41A 121.9(7) . . ?
C53A N52A C41A 127.5(8) . . ?
C54A C53A N52A 107.4(8) . . ?
C53A C54A C55A 106.1(8) . . ?
N51A C55A C54A 109.3(8) . . ?
N51A C55A C62A 119.8(8) . . ?
C54A C55A C62A 130.9(8) . . ?
C62A N61A C66A 118.0(8) . . ?
C62A N61A Ag1 117.3(6) . . ?
C66A N61A Ag1 124.6(7) . . ?
N61A C62A C63A 122.6(8) . . ?
N61A C62A C55A 116.0(7) . . ?
C63A C62A C55A 121.4(8) . . ?
C62A C63A C64A 118.5(9) . . ?
C65A C64A C63A 120.0(9) . . ?
C64A C65A C66A 118.4(10) . . ?
N61A C66A C65A 122.4(10) . . ?
C16B N11B C12B 116.5(8) . . ?
C16B N11B Ag2 127.7(7) . . ?
C12B N11B Ag2 115.7(6) . . ?
C13B C12B N11B 123.0(9) . . ?
C13B C12B C25B 121.4(9) . . ?
N11B C12B C25B 115.5(8) . . ?
C12B C13B C14B 118.9(10) . . ?
C15B C14B C13B 119.2(10) . . ?
C14B C15B C16B 118.7(10) . . ?
N11B C16B C15B 123.6(10) . . ?
N22B N21B C25B 105.5(7) . . ?
N22B N21B Ag2 137.5(6) . . ?
C25B N21B Ag2 116.5(6) . . ?
C23B N22B N21B 111.6(7) . . ?
C23B N22B C31B 129.4(8) . . ?
N21B N22B C31B 119.0(7) . . ?
N22B C23B C24B 107.6(9) . . ?
C23B C24B C25B 105.5(9) . . ?
N21B C25B C24B 109.8(8) . . ?
N21B C25B C12B 119.4(8) . . ?
C24B C25B C12B 130.5(9) . . ?
C32B C31B N22B 113.6(7) . . ?
C37B C32B C33B 117.5(9) . . ?
C37B C32B C31B 121.6(9) . . ?
C33B C32B C31B 120.8(8) . . ?
C34B C33B C32B 122.9(8) . . ?
C33B C34B C35B 115.7(9) . . ?
C33B C34B C34B 121.4(5) . 2_654 ?
C35B C34B C34B 122.9(6) . 2_654 ?
C36B C35B C34B 122.0(10) . . ?
C37B C36B C35B 120.8(10) . . ?
C36B C37B C32B 121.0(10) . . ?
N52B C41B C42B 112.7(7) . . ?
C43B C42B C47B 118.2(8) . . ?
C43B C42B C41B 121.2(8) . . ?
C47B C42B C41B 120.6(9) . . ?
C42B C43B C44B 121.4(8) . . ?
C43B C44B C45B 118.5(8) . . ?
C43B C44B C44B 121.2(5) . 2_655 ?
C45B C44B C44B 120.3(6) . 2_655 ?
C46B C45B C44B 120.9(9) . . ?
C45B C46B C47B 119.6(9) . . ?
C46B C47B C42B 121.4(9) . . ?
C55B N51B N52B 105.8(7) . . ?
C55B N51B Ag1 114.5(7) . . ?
N52B N51B Ag1 139.0(6) . . ?
N51B N52B C53B 110.4(8) . . ?
N51B N52B C41B 119.6(8) . . ?
C53B N52B C41B 129.8(9) . . ?
C54B C53B N52B 107.4(9) . . ?
C53B C54B C55B 106.7(9) . . ?
N51B C55B C54B 109.7(9) . . ?
N51B C55B C62B 119.1(9) . . ?
C54B C55B C62B 131.1(9) . . ?
C66B N61B C62B 118.1(9) . . ?
C66B N61B Ag1 126.0(7) . . ?
C62B N61B Ag1 115.6(7) . . ?
N61B C62B C63B 121.1(10) . . ?
N61B C62B C55B 117.9(8) . . ?
C63B C62B C55B 121.0(10) . . ?
C62B C63B C64B 118.5(10) . . ?
C65B C64B C63B 119.9(10) . . ?
C64B C65B C66B 119.4(11) . . ?
N61B C66B C65B 122.8(11) . . ?
F12 B10 F11 114.1(19) . . ?
F12 B10 F13 113.5(14) . . ?
F11 B10 F13 107.0(19) . . ?
F12 B10 F14 113.1(12) . . ?
F11 B10 F14 102.9(18) . . ?
F13 B10 F14 105.3(14) . . ?
F24 B20 F22 119.5(11) . . ?
F24 B20 F23 117.4(10) . . ?
F22 B20 F23 106.5(10) . . ?
F24 B20 F21 108.2(11) . . ?
F22 B20 F21 102.0(10) . . ?
F23 B20 F21 100.5(9) . . ?
C5 O1 C2 115.6(9) . . ?
O1 C2 C4 110.8(10) . . ?
O1 C2 C3 111.6(10) . . ?
C4 C2 C3 110.8(11) . . ?
O1 C5 C6 109.1(10) . . ?
O1 C5 C7 111.5(10) . . ?
C6 C5 C7 109.3(11) . . ?
O1S C2S N3S 157.4(8) . . ?
C2S N3S C4S 118.0(9) . . ?
C2S N3S C4S 118.0(9) . 2_656 ?
C4S N3S C4S 124.0(18) . 2_656 ?
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
Ag1 N61B 2.306(8) . ?
Ag1 N61A 2.309(8) . ?
Ag1 N51B 2.332(8) . ?
Ag1 N51A 2.335(7) . ?
Ag2 N21B 2.271(7) . ?
Ag2 N21A 2.288(7) . ?
Ag2 N11A 2.344(7) . ?
Ag2 N11B 2.369(8) . ?
N11A C16A 1.332(11) . ?
N11A C12A 1.358(11) . ?
C12A C13A 1.388(12) . ?
C12A C25A 1.466(12) . ?
C13A C14A 1.378(13) . ?
C14A C15A 1.370(14) . ?
C15A C16A 1.400(14) . ?
N21A C25A 1.339(10) . ?
N21A N22A 1.349(9) . ?
N22A C23A 1.363(11) . ?
N22A C31A 1.449(11) . ?
C23A C24A 1.356(12) . ?
C24A C25A 1.378(12) . ?
C31A C32A 1.505(12) . ?
C32A C33A 1.388(12) . ?
C32A C37A 1.389(12) . ?
C33A C34A 1.398(11) . ?
C34A C35A 1.392(12) . ?
C34A C44A 1.477(11) . ?
C35A C36A 1.382(12) . ?
C36A C37A 1.384(12) . ?
C41A N52A 1.456(11) . ?
C41A C42A 1.497(13) . ?
C42A C47A 1.384(13) . ?
C42A C43A 1.420(12) . ?
C43A C44A 1.390(12) . ?
C44A C45A 1.392(12) . ?
C45A C46A 1.399(13) . ?
C46A C47A 1.365(13) . ?
N51A C55A 1.339(10) . ?
N51A N52A 1.329(9) . ?
N52A C53A 1.363(11) . ?
C53A C54A 1.345(13) . ?
C54A C55A 1.398(12) . ?
C55A C62A 1.475(12) . ?
N61A C62A 1.333(11) . ?
N61A C66A 1.336(12) . ?
C62A C63A 1.375(12) . ?
C63A C64A 1.379(13) . ?
C64A C65A 1.350(14) . ?
C65A C66A 1.394(14) . ?
N11B C16B 1.335(12) . ?
N11B C12B 1.343(12) . ?
C12B C13B 1.372(13) . ?
C12B C25B 1.480(13) . ?
C13B C14B 1.358(13) . ?
C14B C15B 1.370(14) . ?
C15B C16B 1.361(13) . ?
N21B N22B 1.348(10) . ?
N21B C25B 1.342(11) . ?
N22B C23B 1.340(12) . ?
N22B C31B 1.458(11) . ?
C23B C24B 1.359(14) . ?
C24B C25B 1.404(13) . ?
C31B C32B 1.490(13) . ?
C32B C37B 1.396(13) . ?
C32B C33B 1.384(12) . ?
C33B C34B 1.391(12) . ?
C34B C35B 1.398(13) . ?
C34B C34B 1.474(18) 2_654 ?
C35B C36B 1.362(15) . ?
C36B C37B 1.336(14) . ?
C41B N52B 1.459(12) . ?
C41B C42B 1.501(12) . ?
C42B C43B 1.386(12) . ?
C42B C47B 1.393(13) . ?
C43B C44B 1.392(12) . ?
C44B C45B 1.392(12) . ?
C44B C44B 1.504(17) 2_655 ?
C45B C46B 1.378(13) . ?
C46B C47B 1.371(13) . ?
N51B C55B 1.335(11) . ?
N51B N52B 1.358(10) . ?
N52B C53B 1.364(12) . ?
C53B C54B 1.336(14) . ?
C54B C55B 1.400(13) . ?
C55B C62B 1.462(14) . ?
N61B C66B 1.351(13) . ?
N61B C62B 1.349(12) . ?
C62B C63B 1.405(14) . ?
C63B C64B 1.386(15) . ?
C64B C65B 1.346(15) . ?
C65B C66B 1.372(15) . ?
B10 F12 1.355(12) . ?
B10 F11 1.367(14) . ?
B10 F13 1.369(13) . ?
B10 F14 1.401(13) . ?
B20 F24 1.328(11) . ?
B20 F22 1.359(11) . ?
B20 F23 1.397(10) . ?
B20 F21 1.415(11) . ?
O1 C5 1.442(13) . ?
O1 C2 1.432(13) . ?
C2 C4 1.486(16) . ?
C2 C3 1.523(17) . ?
C5 C6 1.531(16) . ?
C5 C7 1.567(17) . ?
O1S C2S 1.137(14) . ?
C2S N3S 1.256(15) . ?
N3S C4S 1.427(14) . ?
N3S C4S 1.427(14) 2_656 ?
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
N21B Ag2 N11A C16A 41.0(9) . . . . ?
N21A Ag2 N11A C16A 176.4(8) . . . . ?
N11B Ag2 N11A C16A -53.7(8) . . . . ?
N21B Ag2 N11A C12A -132.4(6) . . . . ?
N21A Ag2 N11A C12A 2.9(5) . . . . ?
N11B Ag2 N11A C12A 132.8(5) . . . . ?
C16A N11A C12A C13A 1.0(12) . . . . ?
Ag2 N11A C12A C13A 175.1(6) . . . . ?
C16A N11A C12A C25A 179.7(7) . . . . ?
Ag2 N11A C12A C25A -6.2(9) . . . . ?
N11A C12A C13A C14A -2.0(13) . . . . ?
C25A C12A C13A C14A 179.4(8) . . . . ?
C12A C13A C14A C15A 2.4(14) . . . . ?
C13A C14A C15A C16A -2.0(14) . . . . ?
C12A N11A C16A C15A -0.6(13) . . . . ?
Ag2 N11A C16A C15A -173.9(7) . . . . ?
C14A C15A C16A N11A 1.1(15) . . . . ?
N21B Ag2 N21A C25A 144.4(5) . . . . ?
N11A Ag2 N21A C25A 0.9(5) . . . . ?
N11B Ag2 N21A C25A -110.6(6) . . . . ?
N21B Ag2 N21A N22A -42.8(9) . . . . ?
N11A Ag2 N21A N22A 173.7(8) . . . . ?
N11B Ag2 N21A N22A 62.2(8) . . . . ?
C25A N21A N22A C23A 1.5(9) . . . . ?
Ag2 N21A N22A C23A -171.9(6) . . . . ?
C25A N21A N22A C31A 179.8(7) . . . . ?
Ag2 N21A N22A C31A 6.4(12) . . . . ?
N21A N22A C23A C24A -1.2(10) . . . . ?
C31A N22A C23A C24A -179.3(8) . . . . ?
N22A C23A C24A C25A 0.5(10) . . . . ?
N22A N21A C25A C24A -1.2(9) . . . . ?
Ag2 N21A C25A C24A 173.8(5) . . . . ?
N22A N21A C25A C12A -179.5(7) . . . . ?
Ag2 N21A C25A C12A -4.5(9) . . . . ?
C23A C24A C25A N21A 0.4(10) . . . . ?
C23A C24A C25A C12A 178.5(8) . . . . ?
N11A C12A C25A N21A 7.3(11) . . . . ?
C13A C12A C25A N21A -174.0(8) . . . . ?
N11A C12A C25A C24A -170.6(8) . . . . ?
C13A C12A C25A C24A 8.1(14) . . . . ?
N21A N22A C31A C32A -74.5(10) . . . . ?
C23A N22A C31A C32A 103.4(10) . . . . ?
N22A C31A C32A C33A 118.3(9) . . . . ?
N22A C31A C32A C37A -62.5(10) . . . . ?
C37A C32A C33A C34A -1.6(13) . . . . ?
C31A C32A C33A C34A 177.6(7) . . . . ?
C32A C33A C34A C35A 1.7(12) . . . . ?
C32A C33A C34A C44A -177.2(8) . . . . ?
C33A C34A C35A C36A -0.5(12) . . . . ?
C44A C34A C35A C36A 178.4(8) . . . . ?
C34A C35A C36A C37A -0.8(14) . . . . ?
C35A C36A C37A C32A 0.9(14) . . . . ?
C33A C32A C37A C36A 0.3(13) . . . . ?
C31A C32A C37A C36A -178.9(8) . . . . ?
N52A C41A C42A C47A -70.6(11) . . . . ?
N52A C41A C42A C43A 110.5(9) . . . . ?
C47A C42A C43A C44A -1.5(12) . . . . ?
C41A C42A C43A C44A 177.5(7) . . . . ?
C42A C43A C44A C45A 1.5(12) . . . . ?
C42A C43A C44A C34A -178.2(7) . . . . ?
C35A C34A C44A C43A -148.2(8) . . . . ?
C33A C34A C44A C43A 30.6(12) . . . . ?
C35A C34A C44A C45A 32.1(12) . . . . ?
C33A C34A C44A C45A -149.1(8) . . . . ?
C43A C44A C45A C46A -0.5(12) . . . . ?
C34A C44A C45A C46A 179.2(8) . . . . ?
C44A C45A C46A C47A -0.6(14) . . . . ?
C45A C46A C47A C42A 0.7(14) . . . . ?
C43A C42A C47A C46A 0.3(13) . . . . ?
C41A C42A C47A C46A -178.6(8) . . . . ?
N61B Ag1 N51A C55A 141.2(6) . . . . ?
N61A Ag1 N51A C55A 9.2(6) . . . . ?
N51B Ag1 N51A C55A -116.9(6) . . . . ?
N61B Ag1 N51A N52A -53.3(11) . . . . ?
N61A Ag1 N51A N52A 174.7(9) . . . . ?
N51B Ag1 N51A N52A 48.5(9) . . . . ?
C55A N51A N52A C53A 1.7(10) . . . . ?
Ag1 N51A N52A C53A -164.5(7) . . . . ?
C55A N51A N52A C41A -178.8(8) . . . . ?
Ag1 N51A N52A C41A 15.1(13) . . . . ?
C42A C41A N52A N51A -90.7(10) . . . . ?
C42A C41A N52A C53A 88.8(11) . . . . ?
N51A N52A C53A C54A -2.0(11) . . . . ?
C41A N52A C53A C54A 178.5(9) . . . . ?
N52A C53A C54A C55A 1.5(11) . . . . ?
N52A N51A C55A C54A -0.7(10) . . . . ?
Ag1 N51A C55A C54A 169.3(6) . . . . ?
N52A N51A C55A C62A 178.5(7) . . . . ?
Ag1 N51A C55A C62A -11.6(10) . . . . ?
C53A C54A C55A N51A -0.5(11) . . . . ?
C53A C54A C55A C62A -179.6(9) . . . . ?
N61B Ag1 N61A C62A -155.7(6) . . . . ?
N51B Ag1 N61A C62A 105.9(7) . . . . ?
N51A Ag1 N61A C62A -6.4(7) . . . . ?
N61B Ag1 N61A C66A 25.5(10) . . . . ?
N51B Ag1 N61A C66A -72.9(10) . . . . ?
N51A Ag1 N61A C66A 174.8(10) . . . . ?
C66A N61A C62A C63A 1.3(14) . . . . ?
Ag1 N61A C62A C63A -177.5(7) . . . . ?
C66A N61A C62A C55A -178.2(9) . . . . ?
Ag1 N61A C62A C55A 3.0(10) . . . . ?
N51A C55A C62A N61A 6.1(12) . . . . ?
C54A C55A C62A N61A -175.0(9) . . . . ?
N51A C55A C62A C63A -173.5(8) . . . . ?
C54A C55A C62A C63A 5.5(15) . . . . ?
N61A C62A C63A C64A 0.6(14) . . . . ?
C55A C62A C63A C64A -179.9(8) . . . . ?
C62A C63A C64A C65A -1.5(15) . . . . ?
C63A C64A C65A C66A 0.6(17) . . . . ?
C62A N61A C66A C65A -2.3(17) . . . . ?
Ag1 N61A C66A C65A 176.4(9) . . . . ?
C64A C65A C66A N61A 1.4(19) . . . . ?
N21B Ag2 N11B C16B -170.0(8) . . . . ?
N21A Ag2 N11B C16B 59.4(8) . . . . ?
N11A Ag2 N11B C16B -31.6(8) . . . . ?
N21B Ag2 N11B C12B 6.1(6) . . . . ?
N21A Ag2 N11B C12B -124.5(6) . . . . ?
N11A Ag2 N11B C12B 144.5(6) . . . . ?
C16B N11B C12B C13B -2.0(12) . . . . ?
Ag2 N11B C12B C13B -178.5(6) . . . . ?
C16B N11B C12B C25B 174.3(7) . . . . ?
Ag2 N11B C12B C25B -2.2(9) . . . . ?
N11B C12B C13B C14B 1.0(13) . . . . ?
C25B C12B C13B C14B -175.1(8) . . . . ?
C12B C13B C14B C15B 0.2(14) . . . . ?
C13B C14B C15B C16B -0.3(14) . . . . ?
C12B N11B C16B C15B 1.8(13) . . . . ?
Ag2 N11B C16B C15B 177.9(7) . . . . ?
C14B C15B C16B N11B -0.7(14) . . . . ?
N21A Ag2 N21B N22B -47.6(9) . . . . ?
N11A Ag2 N21B N22B 68.8(9) . . . . ?
N11B Ag2 N21B N22B -179.6(8) . . . . ?
N21A Ag2 N21B C25B 122.4(6) . . . . ?
N11A Ag2 N21B C25B -121.2(6) . . . . ?
N11B Ag2 N21B C25B -9.6(6) . . . . ?
C25B N21B N22B C23B -0.7(9) . . . . ?
Ag2 N21B N22B C23B 170.1(7) . . . . ?
C25B N21B N22B C31B -179.5(7) . . . . ?
Ag2 N21B N22B C31B -8.8(12) . . . . ?
N21B N22B C23B C24B 0.8(11) . . . . ?
C31B N22B C23B C24B 179.4(8) . . . . ?
N22B C23B C24B C25B -0.5(11) . . . . ?
N22B N21B C25B C24B 0.4(9) . . . . ?
Ag2 N21B C25B C24B -172.7(6) . . . . ?
N22B N21B C25B C12B -174.6(7) . . . . ?
Ag2 N21B C25B C12B 12.4(10) . . . . ?
C23B C24B C25B N21B 0.1(10) . . . . ?
C23B C24B C25B C12B 174.3(9) . . . . ?
C13B C12B C25B N21B 169.7(8) . . . . ?
N11B C12B C25B N21B -6.7(11) . . . . ?
C13B C12B C25B C24B -4.0(14) . . . . ?
N11B C12B C25B C24B 179.6(9) . . . . ?
C23B N22B C31B C32B -102.2(11) . . . . ?
N21B N22B C31B C32B 76.4(10) . . . . ?
N22B C31B C32B C37B 64.4(12) . . . . ?
N22B C31B C32B C33B -117.7(9) . . . . ?
C37B C32B C33B C34B 1.9(13) . . . . ?
C31B C32B C33B C34B -176.1(8) . . . . ?
C32B C33B C34B C35B -1.3(13) . . . . ?
C32B C33B C34B C34B 178.6(10) . . . 2_654 ?
C33B C34B C35B C36B -0.5(15) . . . . ?
C34B C34B C35B C36B 179.6(11) 2_654 . . . ?
C34B C35B C36B C37B 1.7(17) . . . . ?
C35B C36B C37B C32B -1.1(17) . . . . ?
C33B C32B C37B C36B -0.6(15) . . . . ?
C31B C32B C37B C36B 177.3(10) . . . . ?
N52B C41B C42B C43B -129.0(9) . . . . ?
N52B C41B C42B C47B 52.4(12) . . . . ?
C47B C42B C43B C44B 0.3(13) . . . . ?
C41B C42B C43B C44B -178.4(8) . . . . ?
C42B C43B C44B C45B -1.1(13) . . . . ?
C42B C43B C44B C44B 177.9(9) . . . 2_655 ?
C43B C44B C45B C46B 1.3(14) . . . . ?
C44B C44B C45B C46B -177.7(10) 2_655 . . . ?
C44B C45B C46B C47B -0.7(15) . . . . ?
C45B C46B C47B C42B -0.2(15) . . . . ?
C43B C42B C47B C46B 0.4(14) . . . . ?
C41B C42B C47B C46B 179.1(9) . . . . ?
N61B Ag1 N51B C55B -4.8(6) . . . . ?
N61A Ag1 N51B C55B 119.7(6) . . . . ?
N51A Ag1 N51B C55B -150.8(6) . . . . ?
N61B Ag1 N51B N52B -173.4(9) . . . . ?
N61A Ag1 N51B N52B -48.9(9) . . . . ?
N51A Ag1 N51B N52B 40.7(9) . . . . ?
C55B N51B N52B C53B -1.1(9) . . . . ?
Ag1 N51B N52B C53B 168.1(7) . . . . ?
C55B N51B N52B C41B -175.8(7) . . . . ?
Ag1 N51B N52B C41B -6.6(12) . . . . ?
C42B C41B N52B N51B 76.7(10) . . . . ?
C42B C41B N52B C53B -96.8(11) . . . . ?
N51B N52B C53B C54B 1.2(10) . . . . ?
C41B N52B C53B C54B 175.3(8) . . . . ?
N52B C53B C54B C55B -0.9(10) . . . . ?
N52B N51B C55B C54B 0.5(9) . . . . ?
Ag1 N51B C55B C54B -171.7(6) . . . . ?
N52B N51B C55B C62B 177.3(7) . . . . ?
Ag1 N51B C55B C62B 5.1(10) . . . . ?
C53B C54B C55B N51B 0.2(11) . . . . ?
C53B C54B C55B C62B -176.1(9) . . . . ?
N61A Ag1 N61B C66B 49.3(8) . . . . ?
N51B Ag1 N61B C66B 176.6(8) . . . . ?
N51A Ag1 N61B C66B -67.9(9) . . . . ?
N61A Ag1 N61B C62B -123.1(6) . . . . ?
N51B Ag1 N61B C62B 4.1(6) . . . . ?
N51A Ag1 N61B C62B 119.6(7) . . . . ?
C66B N61B C62B C63B 4.0(12) . . . . ?
Ag1 N61B C62B C63B 177.1(6) . . . . ?
C66B N61B C62B C55B -176.2(8) . . . . ?
Ag1 N61B C62B C55B -3.1(10) . . . . ?
N51B C55B C62B N61B -1.4(12) . . . . ?
C54B C55B C62B N61B 174.5(9) . . . . ?
N51B C55B C62B C63B 178.4(8) . . . . ?
C54B C55B C62B C63B -5.6(15) . . . . ?
N61B C62B C63B C64B -3.2(13) . . . . ?
C55B C62B C63B C64B 177.0(8) . . . . ?
C62B C63B C64B C65B -0.4(14) . . . . ?
C63B C64B C65B C66B 3.0(15) . . . . ?
C62B N61B C66B C65B -1.3(14) . . . . ?
Ag1 N61B C66B C65B -173.6(7) . . . . ?
C64B C65B C66B N61B -2.3(15) . . . . ?
C5 O1 C2 C4 156.6(10) . . . . ?
C5 O1 C2 C3 -79.4(12) . . . . ?
C2 O1 C5 C6 130.7(11) . . . . ?
C2 O1 C5 C7 -108.5(12) . . . . ?
O1S C2S N3S C4S 0(3) . . . . ?
O1S C2S N3S C4S -180(3) . . . 2_656 ?
