#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301286.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_4301286
loop_
_publ_author_name
'Daniel L. Reger'
'Elizabeth A. Foley'
'Mark D. Smith'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, South Carolina 29208
USA
;
_publ_contact_author_email       reger@mail.chem.sc.edu
_publ_contact_author_fax         '1 803 777 9521'
_publ_contact_author_name        'Professor Daniel L. Reger'
_publ_contact_author_phone       '1 803 777 2587'
_publ_section_title
;
Mononuclear Metallacyclic Silver(I) Complexes of Third Generation
Bis(1-pyrazolyl)methane Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              936
_journal_page_last               945
_journal_paper_doi               10.1021/ic801594q
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C24 H26 Ag B F4 N8 O2, B F4, 0.5(C3 H6 O)'
_chemical_formula_sum            'C25.5 H29 Ag B F4 N8 O2.5'
_chemical_formula_weight         682.25
_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-97
_cell_angle_alpha                101.4370(10)
_cell_angle_beta                 94.0930(10)
_cell_angle_gamma                97.5230(10)
_cell_formula_units_Z            4
_cell_length_a                   8.7903(3)
_cell_length_b                   12.6297(4)
_cell_length_c                   26.7071(9)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      25.110
_cell_measurement_theta_min      2.349
_cell_volume                     2866.61(17)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            31259
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         10246
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1053
_reflns_number_gt                7821
_reflns_number_total             10246
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801594q_si_001_2.cif
_cod_data_source_block           1a
_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 
;
_cod_original_cell_volume        2866.61(16)
_cod_original_formula_sum        'C25.50 H29 Ag B F4 N8 O2.50'
_cod_database_code               4301286
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
Ag1 Ag 0.53159(3) 0.10322(2) 0.380013(12) 0.04266(10) Uani 1 1 d . . .
Ag2 Ag 0.47529(3) 0.46532(2) 0.879472(11) 0.04616(11) Uani 1 1 d . . .
C1 C 0.7248(4) 0.3586(2) 0.37491(12) 0.0266(7) Uani 1 1 d . . .
H1 H 0.7950 0.4285 0.3765 0.032 Uiso 1 1 calc R . .
C2 C 0.2252(4) -0.0923(3) 0.38983(13) 0.0292(8) Uani 1 1 d . . .
H2 H 0.1416 -0.1555 0.3874 0.035 Uiso 1 1 calc R . .
C3 C 0.2213(4) 0.2260(3) 0.84349(12) 0.0269(7) Uani 1 1 d . . .
H3 H 0.1490 0.1557 0.8377 0.032 Uiso 1 1 calc R . .
C4 C 0.7653(4) 0.6726(3) 0.88102(12) 0.0298(8) Uani 1 1 d . . .
H4 H 0.8452 0.7372 0.8817 0.036 Uiso 1 1 calc R . .
C11 C 0.8655(4) 0.2959(3) 0.29856(13) 0.0315(8) Uani 1 1 d . . .
H11 H 0.9233 0.3642 0.2972 0.038 Uiso 1 1 calc R . .
C12 C 0.8673(4) 0.1989(3) 0.26567(13) 0.0363(8) Uani 1 1 d . . .
H12 H 0.9258 0.1854 0.2371 0.044 Uiso 1 1 calc R . .
C13 C 0.7648(4) 0.1238(3) 0.28307(13) 0.0336(8) Uani 1 1 d . . .
H13 H 0.7425 0.0483 0.2675 0.040 Uiso 1 1 calc R . .
C21 C 0.8492(4) 0.3811(3) 0.46428(14) 0.0376(9) Uani 1 1 d . . .
H21 H 0.9292 0.4392 0.4638 0.045 Uiso 1 1 calc R . .
C22 C 0.8189(5) 0.3362(3) 0.50508(14) 0.0435(10) Uani 1 1 d . . .
H22 H 0.8725 0.3551 0.5385 0.052 Uiso 1 1 calc R . .
C23 C 0.6920(4) 0.2563(3) 0.48723(13) 0.0386(9) Uani 1 1 d . . .
H23 H 0.6439 0.2107 0.5077 0.046 Uiso 1 1 calc R . .
C31 C 0.3935(4) -0.2380(3) 0.38797(12) 0.0295(8) Uani 1 1 d . . .
H31 H 0.3164 -0.3000 0.3766 0.035 Uiso 1 1 calc R . .
C32 C 0.5460(4) -0.2394(3) 0.39992(13) 0.0337(8) Uani 1 1 d . . .
H32 H 0.5971 -0.3015 0.3988 0.040 Uiso 1 1 calc R . .
C33 C 0.6114(4) -0.1289(3) 0.41419(13) 0.0354(8) Uani 1 1 d . . .
H33 H 0.7180 -0.1042 0.4244 0.042 Uiso 1 1 calc R . .
C41 C 0.0862(4) -0.0797(3) 0.30624(14) 0.0383(9) Uani 1 1 d . . .
H41 H 0.0004 -0.1346 0.3052 0.046 Uiso 1 1 calc R . .
C42 C 0.1086(5) -0.0166(3) 0.27116(15) 0.0468(10) Uani 1 1 d . . .
H42 H 0.0435 -0.0177 0.2410 0.056 Uiso 1 1 calc R . .
C43 C 0.2474(5) 0.0495(3) 0.28912(14) 0.0416(9) Uani 1 1 d . . .
H43 H 0.2946 0.1027 0.2721 0.050 Uiso 1 1 calc R . .
C51 C 0.0552(4) 0.2841(3) 0.91394(14) 0.0384(9) Uani 1 1 d . . .
H51 H 0.0008 0.2147 0.9151 0.046 Uiso 1 1 calc R . .
C52 C 0.0403(4) 0.3809(3) 0.94459(14) 0.0403(9) Uani 1 1 d . . .
H52 H -0.0269 0.3931 0.9708 0.048 Uiso 1 1 calc R . .
C53 C 0.1443(4) 0.4579(3) 0.92951(13) 0.0357(8) Uani 1 1 d . . .
H53 H 0.1610 0.5336 0.9449 0.043 Uiso 1 1 calc R . .
C61 C 0.4149(5) 0.1058(3) 0.86246(14) 0.0417(9) Uani 1 1 d . . .
H61 H 0.3504 0.0370 0.8530 0.050 Uiso 1 1 calc R . .
C62 C 0.5678(5) 0.1234(4) 0.87907(15) 0.0541(12) Uani 1 1 d . . .
H62 H 0.6314 0.0701 0.8837 0.065 Uiso 1 1 calc R . .
C63 C 0.6113(4) 0.2354(4) 0.88775(15) 0.0490(11) Uani 1 1 d . . .
H63 H 0.7127 0.2717 0.8999 0.059 Uiso 1 1 calc R . .
C71 C 0.7293(4) 0.7768(3) 0.96851(13) 0.0375(9) Uani 1 1 d . . .
H71 H 0.7911 0.8440 0.9678 0.045 Uiso 1 1 calc R . .
C72 C 0.6445(4) 0.7558(3) 1.00691(13) 0.0397(9) Uani 1 1 d . . .
H72 H 0.6349 0.8043 1.0382 0.048 Uiso 1 1 calc R . .
C73 C 0.5748(4) 0.6479(3) 0.99040(13) 0.0356(8) Uani 1 1 d . . .
H73 H 0.5073 0.6105 1.0095 0.043 Uiso 1 1 calc R . .
C81 C 0.6303(4) 0.7520(3) 0.81421(14) 0.0413(9) Uani 1 1 d . . .
H81 H 0.7036 0.8151 0.8156 0.050 Uiso 1 1 calc R . .
C82 C 0.4947(5) 0.7217(4) 0.78352(15) 0.0500(11) Uani 1 1 d . . .
H82 H 0.4543 0.7592 0.7593 0.060 Uiso 1 1 calc R . .
C83 C 0.4279(4) 0.6249(3) 0.79493(14) 0.0438(10) Uani 1 1 d . . .
H83 H 0.3317 0.5848 0.7791 0.053 Uiso 1 1 calc R . .
C91 C 0.5614(4) 0.3799(3) 0.36374(12) 0.0273(7) Uani 1 1 d . . .
H91A H 0.5483 0.4002 0.3299 0.033 Uiso 1 1 calc R . .
H91B H 0.4867 0.3139 0.3635 0.033 Uiso 1 1 calc R . .
C92 C 0.3784(4) 0.4826(3) 0.40390(14) 0.0321(8) Uani 1 1 d . . .
H92A H 0.3380 0.4894 0.3693 0.039 Uiso 1 1 calc R . .
H92B H 0.3708 0.5514 0.4283 0.039 Uiso 1 1 calc R . .
C93 C 0.2813(4) 0.3888(2) 0.41932(12) 0.0262(7) Uani 1 1 d . . .
C94 C 0.2900(4) 0.3785(3) 0.47001(13) 0.0304(8) Uani 1 1 d . . .
H94 H 0.3531 0.4328 0.4955 0.037 Uiso 1 1 calc R . .
C95 C 0.2071(4) 0.2894(3) 0.48399(13) 0.0301(8) Uani 1 1 d . . .
H95 H 0.2144 0.2829 0.5189 0.036 Uiso 1 1 calc R . .
C96 C 0.1137(4) 0.2099(2) 0.44732(13) 0.0269(7) Uani 1 1 d . . .
C97 C 0.1035(4) 0.2204(3) 0.39663(13) 0.0291(7) Uani 1 1 d . . .
H97 H 0.0396 0.1665 0.3712 0.035 Uiso 1 1 calc R . .
C98 C 0.1868(4) 0.3098(3) 0.38282(13) 0.0287(7) Uani 1 1 d . . .
H98 H 0.1788 0.3167 0.3480 0.034 Uiso 1 1 calc R . .
C99 C 0.0245(4) 0.1124(3) 0.46222(14) 0.0338(8) Uani 1 1 d . . .
H99A H 0.0552 0.1134 0.4987 0.041 Uiso 1 1 calc R . .
H99B H -0.0870 0.1178 0.4586 0.041 Uiso 1 1 calc R . .
C100 C 0.2057(4) -0.0074(3) 0.43690(13) 0.0315(8) Uani 1 1 d . . .
H10A H 0.2269 -0.0346 0.4686 0.038 Uiso 1 1 calc R . .
H10B H 0.2769 0.0611 0.4386 0.038 Uiso 1 1 calc R . .
C101 C 0.2266(4) 0.2598(3) 0.79257(12) 0.0282(7) Uani 1 1 d . . .
H10C H 0.1246 0.2759 0.7806 0.034 Uiso 1 1 calc R . .
H10D H 0.3038 0.3259 0.7955 0.034 Uiso 1 1 calc R . .
C102 C 0.3444(4) 0.2005(3) 0.71574(12) 0.0331(8) Uani 1 1 d . . .
H10E H 0.2784 0.2418 0.6977 0.040 Uiso 1 1 calc R . .
H10F H 0.3582 0.1336 0.6911 0.040 Uiso 1 1 calc R . .
C103 C 0.5004(4) 0.2698(3) 0.73355(12) 0.0291(8) Uani 1 1 d . . .
C104 C 0.6162(4) 0.2281(3) 0.75833(14) 0.0361(8) Uani 1 1 d . . .
H104 H 0.5998 0.1544 0.7623 0.043 Uiso 1 1 calc R . .
C105 C 0.7550(4) 0.2932(3) 0.77723(14) 0.0373(9) Uani 1 1 d . . .
H105 H 0.8325 0.2639 0.7945 0.045 Uiso 1 1 calc R . .
C106 C 0.7837(4) 0.4006(3) 0.77144(13) 0.0325(8) Uani 1 1 d . . .
C107 C 0.6695(4) 0.4410(3) 0.74538(13) 0.0352(8) Uani 1 1 d . . .
H107 H 0.6879 0.5134 0.7399 0.042 Uiso 1 1 calc R . .
C108 C 0.5292(4) 0.3768(3) 0.72725(13) 0.0347(8) Uani 1 1 d . . .
H108 H 0.4515 0.4063 0.7102 0.042 Uiso 1 1 calc R . .
C109 C 0.9339(4) 0.4735(3) 0.79331(15) 0.0400(9) Uani 1 1 d . . .
H10G H 0.9922 0.4374 0.8164 0.048 Uiso 1 1 calc R . .
H10H H 0.9970 0.4841 0.7650 0.048 Uiso 1 1 calc R . .
C110 C 0.8409(4) 0.5717(3) 0.86754(13) 0.0332(8) Uani 1 1 d . . .
H11A H 0.9209 0.5696 0.8952 0.040 Uiso 1 1 calc R . .
H11B H 0.7636 0.5051 0.8626 0.040 Uiso 1 1 calc R . .
N11 N 0.7019(3) 0.1703(2) 0.32410(10) 0.0294(6) Uani 1 1 d . . .
N12 N 0.7670(3) 0.2775(2) 0.33335(10) 0.0246(6) Uani 1 1 d . . .
N21 N 0.6459(3) 0.2510(2) 0.43825(11) 0.0311(6) Uani 1 1 d . . .
N22 N 0.7467(3) 0.3295(2) 0.42447(10) 0.0255(6) Uani 1 1 d . . .
N31 N 0.5060(3) -0.0629(2) 0.41172(11) 0.0340(7) Uani 1 1 d . . .
N32 N 0.3716(3) -0.1327(2) 0.39524(10) 0.0278(6) Uani 1 1 d . . .
N41 N 0.3075(3) 0.0300(2) 0.33301(11) 0.0332(7) Uani 1 1 d . . .
N42 N 0.2059(3) -0.0514(2) 0.34281(10) 0.0280(6) Uani 1 1 d . . .
N51 N 0.2182(3) 0.4128(2) 0.89075(10) 0.0291(6) Uani 1 1 d . . .
N52 N 0.1612(3) 0.3043(2) 0.88151(10) 0.0266(6) Uani 1 1 d . . .
N61 N 0.4931(3) 0.2861(2) 0.87687(11) 0.0349(7) Uani 1 1 d . . .
N62 N 0.3720(3) 0.2046(2) 0.86199(10) 0.0293(6) Uani 1 1 d . . .
N71 N 0.6139(3) 0.6032(2) 0.94468(11) 0.0330(7) Uani 1 1 d . . .
N72 N 0.7100(3) 0.6850(2) 0.93170(10) 0.0285(6) Uani 1 1 d . . .
N81 N 0.5160(3) 0.5954(2) 0.83100(11) 0.0337(7) Uani 1 1 d . . .
N82 N 0.6399(3) 0.6746(2) 0.84234(10) 0.0298(6) Uani 1 1 d . . .
O1 O 0.5379(2) 0.46706(17) 0.40345(9) 0.0301(5) Uani 1 1 d . . .
O2 O 0.0503(3) 0.01055(17) 0.43113(9) 0.0338(6) Uani 1 1 d . . .
O3 O 0.2687(3) 0.17010(17) 0.75792(8) 0.0294(5) Uani 1 1 d . . .
O4 O 0.9082(3) 0.57817(19) 0.82133(9) 0.0372(6) Uani 1 1 d . . .
B1 B 0.0585(5) 0.3784(3) 0.64835(16) 0.0342(9) Uani 1 1 d D . .
F1 F -0.0319(3) 0.4461(2) 0.63194(14) 0.0981(12) Uani 1 1 d D . .
F2 F 0.0973(4) 0.3053(3) 0.60920(12) 0.1108(12) Uani 1 1 d D . .
F3 F -0.0221(4) 0.3193(2) 0.67766(12) 0.0945(10) Uani 1 1 d D . .
F4 F 0.1835(3) 0.44012(19) 0.67928(11) 0.0725(8) Uani 1 1 d D . .
B2A B 0.9714(8) 0.9724(6) 0.8761(3) 0.0392(17) Uani 0.708(6) 1 d PD A 1
F5A F 0.9935(7) 0.8806(4) 0.8452(2) 0.138(3) Uani 0.708(6) 1 d PD A 1
F6A F 0.8597(6) 0.9457(3) 0.90496(17) 0.096(2) Uani 0.708(6) 1 d PD A 1
F7A F 1.0993(9) 1.0288(6) 0.9042(3) 0.139(4) Uani 0.708(6) 1 d PD A 1
F8A F 0.9132(5) 1.0449(3) 0.84912(17) 0.0790(15) Uani 0.708(6) 1 d PD A 1
B2B B 1.011(2) 0.9718(14) 0.8833(6) 0.0392(17) Uani 0.292(6) 1 d PD A 2
F5B F 1.0676(12) 0.9492(9) 0.8384(4) 0.075(3) Uiso 0.292(6) 1 d PD A 2
F6B F 0.9864(14) 0.8859(9) 0.9047(4) 0.096(4) Uiso 0.292(6) 1 d PD A 2
F7B F 1.1078(14) 1.0515(11) 0.9153(5) 0.043(3) Uiso 0.292(6) 1 d PD A 2
F8B F 0.8744(16) 1.0110(13) 0.8742(6) 0.110(5) Uiso 0.292(6) 1 d PD A 2
C111 C 0.2324(5) 0.7957(3) 0.95710(18) 0.0565(11) Uani 1 1 d . . .
C112 C 0.2731(6) 0.9076(3) 0.98894(19) 0.0752(15) Uani 1 1 d . . .
H11C H 0.2093 0.9160 1.0177 0.113 Uiso 1 1 calc R . .
H11D H 0.2546 0.9610 0.9680 0.113 Uiso 1 1 calc R . .
H11E H 0.3822 0.9197 1.0022 0.113 Uiso 1 1 calc R . .
C113 C 0.2932(7) 0.7723(5) 0.9066(2) 0.0873(18) Uani 1 1 d . . .
H11F H 0.2903 0.6933 0.8953 0.131 Uiso 1 1 calc R . .
H11G H 0.3999 0.8088 0.9094 0.131 Uiso 1 1 calc R . .
H11H H 0.2298 0.7992 0.8815 0.131 Uiso 1 1 calc R . .
O5 O 0.1535(5) 0.7265(3) 0.97186(16) 0.1101(16) Uani 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'
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'
O O 0.0106 0.0060 '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'
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
N41 Ag1 N21 142.54(10) . . ?
N41 Ag1 N11 107.40(10) . . ?
N21 Ag1 N11 84.45(9) . . ?
N41 Ag1 N31 84.85(10) . . ?
N21 Ag1 N31 114.00(10) . . ?
N11 Ag1 N31 131.85(9) . . ?
N61 Ag2 N81 140.75(10) . . ?
N61 Ag2 N51 83.68(9) . . ?
N81 Ag2 N51 114.99(10) . . ?
N61 Ag2 N71 121.08(10) . . ?
N81 Ag2 N71 83.08(10) . . ?
N51 Ag2 N71 115.91(10) . . ?
N22 C1 N12 112.5(2) . . ?
N22 C1 C91 111.3(3) . . ?
N12 C1 C91 111.0(3) . . ?
N22 C1 H1 107.3 . . ?
N12 C1 H1 107.3 . . ?
C91 C1 H1 107.3 . . ?
N32 C2 N42 111.8(3) . . ?
N32 C2 C100 111.1(3) . . ?
N42 C2 C100 111.9(3) . . ?
N32 C2 H2 107.3 . . ?
N42 C2 H2 107.3 . . ?
C100 C2 H2 107.3 . . ?
N52 C3 N62 111.5(3) . . ?
N52 C3 C101 112.4(3) . . ?
N62 C3 C101 111.0(3) . . ?
N52 C3 H3 107.2 . . ?
N62 C3 H3 107.2 . . ?
C101 C3 H3 107.2 . . ?
N72 C4 N82 110.3(3) . . ?
N72 C4 C110 112.2(3) . . ?
N82 C4 C110 111.8(3) . . ?
N72 C4 H4 107.5 . . ?
N82 C4 H4 107.5 . . ?
C110 C4 H4 107.5 . . ?
N12 C11 C12 107.6(3) . . ?
N12 C11 H11 126.2 . . ?
C12 C11 H11 126.2 . . ?
C11 C12 C13 104.9(3) . . ?
C11 C12 H12 127.5 . . ?
C13 C12 H12 127.5 . . ?
N11 C13 C12 111.9(3) . . ?
N11 C13 H13 124.0 . . ?
C12 C13 H13 124.0 . . ?
N22 C21 C22 108.2(3) . . ?
N22 C21 H21 125.9 . . ?
C22 C21 H21 125.9 . . ?
C21 C22 C23 104.6(3) . . ?
C21 C22 H22 127.7 . . ?
C23 C22 H22 127.7 . . ?
N21 C23 C22 112.1(3) . . ?
N21 C23 H23 123.9 . . ?
C22 C23 H23 123.9 . . ?
N32 C31 C32 107.5(3) . . ?
N32 C31 H31 126.3 . . ?
C32 C31 H31 126.3 . . ?
C31 C32 C33 104.8(3) . . ?
C31 C32 H32 127.6 . . ?
C33 C32 H32 127.6 . . ?
N31 C33 C32 111.8(3) . . ?
N31 C33 H33 124.1 . . ?
C32 C33 H33 124.1 . . ?
N42 C41 C42 108.4(3) . . ?
N42 C41 H41 125.8 . . ?
C42 C41 H41 125.8 . . ?
C41 C42 C43 104.3(3) . . ?
C41 C42 H42 127.8 . . ?
C43 C42 H42 127.8 . . ?
N41 C43 C42 112.0(3) . . ?
N41 C43 H43 124.0 . . ?
C42 C43 H43 124.0 . . ?
N52 C51 C52 107.8(3) . . ?
N52 C51 H51 126.1 . . ?
C52 C51 H51 126.1 . . ?
C51 C52 C53 105.2(3) . . ?
C51 C52 H52 127.4 . . ?
C53 C52 H52 127.4 . . ?
N51 C53 C52 111.6(3) . . ?
N51 C53 H53 124.2 . . ?
C52 C53 H53 124.2 . . ?
N62 C61 C62 107.1(4) . . ?
N62 C61 H61 126.5 . . ?
C62 C61 H61 126.5 . . ?
C61 C62 C63 105.5(3) . . ?
C61 C62 H62 127.3 . . ?
C63 C62 H62 127.3 . . ?
N61 C63 C62 111.6(4) . . ?
N61 C63 H63 124.2 . . ?
C62 C63 H63 124.2 . . ?
N72 C71 C72 107.5(3) . . ?
N72 C71 H71 126.2 . . ?
C72 C71 H71 126.2 . . ?
C71 C72 C73 104.9(3) . . ?
C71 C72 H72 127.5 . . ?
C73 C72 H72 127.5 . . ?
N71 C73 C72 112.0(3) . . ?
N71 C73 H73 124.0 . . ?
C72 C73 H73 124.0 . . ?
N82 C81 C82 106.5(3) . . ?
N82 C81 H81 126.7 . . ?
C82 C81 H81 126.7 . . ?
C81 C82 C83 105.8(3) . . ?
C81 C82 H82 127.1 . . ?
C83 C82 H82 127.1 . . ?
N81 C83 C82 111.2(3) . . ?
N81 C83 H83 124.4 . . ?
C82 C83 H83 124.4 . . ?
O1 C91 C1 106.3(2) . . ?
O1 C91 H91A 110.5 . . ?
C1 C91 H91A 110.5 . . ?
O1 C91 H91B 110.5 . . ?
C1 C91 H91B 110.5 . . ?
H91A C91 H91B 108.7 . . ?
O1 C92 C93 111.6(2) . . ?
O1 C92 H92A 109.3 . . ?
C93 C92 H92A 109.3 . . ?
O1 C92 H92B 109.3 . . ?
C93 C92 H92B 109.3 . . ?
H92A C92 H92B 108.0 . . ?
C94 C93 C98 119.0(3) . . ?
C94 C93 C92 120.3(3) . . ?
C98 C93 C92 120.7(3) . . ?
C93 C94 C95 120.5(3) . . ?
C93 C94 H94 119.7 . . ?
C95 C94 H94 119.7 . . ?
C96 C95 C94 120.4(3) . . ?
C96 C95 H95 119.8 . . ?
C94 C95 H95 119.8 . . ?
C97 C96 C95 119.3(3) . . ?
C97 C96 C99 120.1(3) . . ?
C95 C96 C99 120.6(3) . . ?
C96 C97 C98 120.1(3) . . ?
C96 C97 H97 119.9 . . ?
C98 C97 H97 119.9 . . ?
C93 C98 C97 120.7(3) . . ?
C93 C98 H98 119.7 . . ?
C97 C98 H98 119.7 . . ?
O2 C99 C96 112.3(3) . . ?
O2 C99 H99A 109.1 . . ?
C96 C99 H99A 109.1 . . ?
O2 C99 H99B 109.1 . . ?
C96 C99 H99B 109.1 . . ?
H99A C99 H99B 107.9 . . ?
O2 C100 C2 105.5(3) . . ?
O2 C100 H10A 110.6 . . ?
C2 C100 H10A 110.6 . . ?
O2 C100 H10B 110.6 . . ?
C2 C100 H10B 110.6 . . ?
H10A C100 H10B 108.8 . . ?
O3 C101 C3 106.0(2) . . ?
O3 C101 H10C 110.5 . . ?
C3 C101 H10C 110.5 . . ?
O3 C101 H10D 110.5 . . ?
C3 C101 H10D 110.5 . . ?
H10C C101 H10D 108.7 . . ?
O3 C102 C103 111.9(3) . . ?
O3 C102 H10E 109.2 . . ?
C103 C102 H10E 109.2 . . ?
O3 C102 H10F 109.2 . . ?
C103 C102 H10F 109.2 . . ?
H10E C102 H10F 107.9 . . ?
C108 C103 C104 118.5(3) . . ?
C108 C103 C102 121.2(3) . . ?
C104 C103 C102 120.3(3) . . ?
C105 C104 C103 120.3(3) . . ?
C105 C104 H104 119.9 . . ?
C103 C104 H104 119.9 . . ?
C104 C105 C106 121.3(3) . . ?
C104 C105 H105 119.3 . . ?
C106 C105 H105 119.3 . . ?
C107 C106 C105 118.2(3) . . ?
C107 C106 C109 120.1(3) . . ?
C105 C106 C109 121.6(3) . . ?
C108 C107 C106 120.7(3) . . ?
C108 C107 H107 119.7 . . ?
C106 C107 H107 119.7 . . ?
C107 C108 C103 120.9(3) . . ?
C107 C108 H108 119.5 . . ?
C103 C108 H108 119.5 . . ?
O4 C109 C106 111.7(3) . . ?
O4 C109 H10G 109.3 . . ?
C106 C109 H10G 109.3 . . ?
O4 C109 H10H 109.3 . . ?
C106 C109 H10H 109.3 . . ?
H10G C109 H10H 107.9 . . ?
O4 C110 C4 106.1(3) . . ?
O4 C110 H11A 110.5 . . ?
C4 C110 H11A 110.5 . . ?
O4 C110 H11B 110.5 . . ?
C4 C110 H11B 110.5 . . ?
H11A C110 H11B 108.7 . . ?
C13 N11 N12 104.2(3) . . ?
C13 N11 Ag1 134.1(2) . . ?
N12 N11 Ag1 121.50(19) . . ?
C11 N12 N11 111.4(3) . . ?
C11 N12 C1 126.7(3) . . ?
N11 N12 C1 121.8(2) . . ?
C23 N21 N22 104.1(3) . . ?
C23 N21 Ag1 127.5(2) . . ?
N22 N21 Ag1 121.0(2) . . ?
C21 N22 N21 111.0(3) . . ?
C21 N22 C1 127.1(3) . . ?
N21 N22 C1 121.4(3) . . ?
C33 N31 N32 103.9(3) . . ?
C33 N31 Ag1 127.3(2) . . ?
N32 N31 Ag1 115.66(19) . . ?
C31 N32 N31 111.9(3) . . ?
C31 N32 C2 126.7(3) . . ?
N31 N32 C2 121.3(2) . . ?
C43 N41 N42 104.4(3) . . ?
C43 N41 Ag1 130.0(2) . . ?
N42 N41 Ag1 125.5(2) . . ?
C41 N42 N41 110.8(3) . . ?
C41 N42 C2 127.4(3) . . ?
N41 N42 C2 121.6(3) . . ?
C53 N51 N52 104.5(3) . . ?
C53 N51 Ag2 125.3(2) . . ?
N52 N51 Ag2 118.99(18) . . ?
C51 N52 N51 110.8(3) . . ?
C51 N52 C3 128.0(3) . . ?
N51 N52 C3 121.1(2) . . ?
C63 N61 N62 104.4(3) . . ?
C63 N61 Ag2 132.1(3) . . ?
N62 N61 Ag2 123.5(2) . . ?
C61 N62 N61 111.4(3) . . ?
C61 N62 C3 126.8(3) . . ?
N61 N62 C3 121.5(3) . . ?
C73 N71 N72 104.1(3) . . ?
C73 N71 Ag2 129.9(2) . . ?
N72 N71 Ag2 119.2(2) . . ?
C71 N72 N71 111.5(3) . . ?
C71 N72 C4 126.9(3) . . ?
N71 N72 C4 121.2(3) . . ?
C83 N81 N82 104.6(3) . . ?
C83 N81 Ag2 133.2(3) . . ?
N82 N81 Ag2 121.3(2) . . ?
N81 N82 C81 111.8(3) . . ?
N81 N82 C4 121.8(3) . . ?
C81 N82 C4 126.4(3) . . ?
C91 O1 C92 112.7(2) . . ?
C100 O2 C99 112.8(3) . . ?
C101 O3 C102 113.8(2) . . ?
C110 O4 C109 112.8(3) . . ?
F2 B1 F1 112.2(4) . . ?
F2 B1 F3 106.0(3) . . ?
F1 B1 F3 108.8(4) . . ?
F2 B1 F4 113.4(3) . . ?
F1 B1 F4 108.9(3) . . ?
F3 B1 F4 107.2(3) . . ?
F5A B2A F7A 114.2(7) . . ?
F5A B2A F6A 107.0(6) . . ?
F7A B2A F6A 112.7(7) . . ?
F5A B2A F8A 112.3(6) . . ?
F7A B2A F8A 105.6(6) . . ?
F6A B2A F8A 104.8(5) . . ?
F5B B2B F6B 113.0(14) . . ?
F5B B2B F7B 109.5(13) . . ?
F6B B2B F7B 109.2(14) . . ?
F5B B2B F8B 106.5(14) . . ?
F6B B2B F8B 110.4(15) . . ?
F7B B2B F8B 108.1(14) . . ?
O5 C111 C113 120.9(5) . . ?
O5 C111 C112 121.0(5) . . ?
C113 C111 C112 118.1(4) . . ?
C111 C112 H11C 109.5 . . ?
C111 C112 H11D 109.5 . . ?
H11C C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11C C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C111 C113 H11F 109.5 . . ?
C111 C113 H11G 109.5 . . ?
H11F C113 H11G 109.5 . . ?
C111 C113 H11H 109.5 . . ?
H11F C113 H11H 109.5 . . ?
H11G C113 H11H 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
Ag1 N41 2.241(3) . ?
Ag1 N21 2.246(3) . ?
Ag1 N11 2.382(3) . ?
Ag1 N31 2.404(3) . ?
Ag2 N61 2.277(3) . ?
Ag2 N81 2.294(3) . ?
Ag2 N51 2.329(3) . ?
Ag2 N71 2.343(3) . ?
C1 N22 1.449(4) . ?
C1 N12 1.458(4) . ?
C1 C91 1.515(4) . ?
C1 H1 1.0000 . ?
C2 N32 1.454(4) . ?
C2 N42 1.457(4) . ?
C2 C100 1.518(4) . ?
C2 H2 1.0000 . ?
C3 N52 1.450(4) . ?
C3 N62 1.458(4) . ?
C3 C101 1.506(4) . ?
C3 H3 1.0000 . ?
C4 N72 1.457(4) . ?
C4 N82 1.462(4) . ?
C4 C110 1.507(5) . ?
C4 H4 1.0000 . ?
C11 N12 1.347(4) . ?
C11 C12 1.362(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.393(5) . ?
C12 H12 0.9500 . ?
C13 N11 1.330(4) . ?
C13 H13 0.9500 . ?
C21 N22 1.342(4) . ?
C21 C22 1.351(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(5) . ?
C22 H22 0.9500 . ?
C23 N21 1.328(4) . ?
C23 H23 0.9500 . ?
C31 N32 1.347(4) . ?
C31 C32 1.359(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.404(5) . ?
C32 H32 0.9500 . ?
C33 N31 1.332(4) . ?
C33 H33 0.9500 . ?
C41 N42 1.344(4) . ?
C41 C42 1.353(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(5) . ?
C42 H42 0.9500 . ?
C43 N41 1.332(4) . ?
C43 H43 0.9500 . ?
C51 N52 1.351(4) . ?
C51 C52 1.357(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.386(5) . ?
C52 H52 0.9500 . ?
C53 N51 1.333(4) . ?
C53 H53 0.9500 . ?
C61 N62 1.352(4) . ?
C61 C62 1.360(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.385(6) . ?
C62 H62 0.9500 . ?
C63 N61 1.333(5) . ?
C63 H63 0.9500 . ?
C71 N72 1.346(4) . ?
C71 C72 1.358(5) . ?
C71 H71 0.9500 . ?
C72 C73 1.390(5) . ?
C72 H72 0.9500 . ?
C73 N71 1.328(4) . ?
C73 H73 0.9500 . ?
C81 N82 1.353(4) . ?
C81 C82 1.362(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.384(6) . ?
C82 H82 0.9500 . ?
C83 N81 1.333(4) . ?
C83 H83 0.9500 . ?
C91 O1 1.417(4) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 O1 1.441(4) . ?
C92 C93 1.511(4) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.383(5) . ?
C93 C98 1.385(5) . ?
C94 C95 1.388(5) . ?
C94 H94 0.9500 . ?
C95 C96 1.386(5) . ?
C95 H95 0.9500 . ?
C96 C97 1.384(5) . ?
C96 C99 1.508(4) . ?
C97 C98 1.391(4) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
C99 O2 1.441(4) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 O2 1.417(4) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 O3 1.421(4) . ?
C101 H10C 0.9900 . ?
C101 H10D 0.9900 . ?
C102 O3 1.439(4) . ?
C102 C103 1.516(5) . ?
C102 H10E 0.9900 . ?
C102 H10F 0.9900 . ?
C103 C108 1.388(5) . ?
C103 C104 1.391(5) . ?
C104 C105 1.380(5) . ?
C104 H104 0.9500 . ?
C105 C106 1.389(5) . ?
C105 H105 0.9500 . ?
C106 C107 1.388(5) . ?
C106 C109 1.513(5) . ?
C107 C108 1.382(5) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C109 O4 1.438(4) . ?
C109 H10G 0.9900 . ?
C109 H10H 0.9900 . ?
C110 O4 1.418(4) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
N11 N12 1.366(3) . ?
N21 N22 1.365(4) . ?
N31 N32 1.366(4) . ?
N41 N42 1.350(4) . ?
N51 N52 1.363(3) . ?
N61 N62 1.357(4) . ?
N71 N72 1.363(4) . ?
N81 N82 1.351(4) . ?
B1 F2 1.347(5) . ?
B1 F1 1.353(5) . ?
B1 F3 1.358(5) . ?
B1 F4 1.374(5) . ?
B2A F5A 1.329(8) . ?
B2A F7A 1.339(8) . ?
B2A F6A 1.340(7) . ?
B2A F8A 1.397(8) . ?
B2B F5B 1.323(14) . ?
B2B F6B 1.325(14) . ?
B2B F7B 1.343(14) . ?
B2B F8B 1.379(15) . ?
C111 O5 1.190(5) . ?
C111 C113 1.476(6) . ?
C111 C112 1.481(6) . ?
C112 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C113 H11G 0.9800 . ?
C113 H11H 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
N12 C11 C12 C13 0.2(4) . . . . ?
C11 C12 C13 N11 0.3(4) . . . . ?
N22 C21 C22 C23 -0.7(4) . . . . ?
C21 C22 C23 N21 0.3(4) . . . . ?
N32 C31 C32 C33 -0.4(4) . . . . ?
C31 C32 C33 N31 0.5(4) . . . . ?
N42 C41 C42 C43 0.1(4) . . . . ?
C41 C42 C43 N41 -0.7(4) . . . . ?
N52 C51 C52 C53 -1.3(4) . . . . ?
C51 C52 C53 N51 1.3(4) . . . . ?
N62 C61 C62 C63 -0.4(4) . . . . ?
C61 C62 C63 N61 -0.5(5) . . . . ?
N72 C71 C72 C73 -0.3(4) . . . . ?
C71 C72 C73 N71 0.4(4) . . . . ?
N82 C81 C82 C83 -0.1(4) . . . . ?
C81 C82 C83 N81 0.1(5) . . . . ?
N22 C1 C91 O1 59.8(3) . . . . ?
N12 C1 C91 O1 -174.1(2) . . . . ?
O1 C92 C93 C94 74.5(4) . . . . ?
O1 C92 C93 C98 -103.2(3) . . . . ?
C98 C93 C94 C95 1.0(5) . . . . ?
C92 C93 C94 C95 -176.6(3) . . . . ?
C93 C94 C95 C96 -0.4(5) . . . . ?
C94 C95 C96 C97 -0.2(5) . . . . ?
C94 C95 C96 C99 179.5(3) . . . . ?
C95 C96 C97 C98 0.2(5) . . . . ?
C99 C96 C97 C98 -179.4(3) . . . . ?
C94 C93 C98 C97 -1.0(5) . . . . ?
C92 C93 C98 C97 176.7(3) . . . . ?
C96 C97 C98 C93 0.4(5) . . . . ?
C97 C96 C99 O2 51.8(4) . . . . ?
C95 C96 C99 O2 -127.9(3) . . . . ?
N32 C2 C100 O2 -169.8(2) . . . . ?
N42 C2 C100 O2 64.6(3) . . . . ?
N52 C3 C101 O3 -172.9(2) . . . . ?
N62 C3 C101 O3 61.5(3) . . . . ?
O3 C102 C103 C108 -116.4(3) . . . . ?
O3 C102 C103 C104 61.4(4) . . . . ?
C108 C103 C104 C105 1.6(5) . . . . ?
C102 C103 C104 C105 -176.2(3) . . . . ?
C103 C104 C105 C106 -1.0(5) . . . . ?
C104 C105 C106 C107 -0.9(5) . . . . ?
C104 C105 C106 C109 178.3(3) . . . . ?
C105 C106 C107 C108 2.1(5) . . . . ?
C109 C106 C107 C108 -177.1(3) . . . . ?
C106 C107 C108 C103 -1.5(5) . . . . ?
C104 C103 C108 C107 -0.3(5) . . . . ?
C102 C103 C108 C107 177.4(3) . . . . ?
C107 C106 C109 O4 47.3(4) . . . . ?
C105 C106 C109 O4 -131.8(3) . . . . ?
N72 C4 C110 O4 -171.8(3) . . . . ?
N82 C4 C110 O4 63.8(3) . . . . ?
C12 C13 N11 N12 -0.6(4) . . . . ?
C12 C13 N11 Ag1 -175.7(2) . . . . ?
N41 Ag1 N11 C13 -63.4(3) . . . . ?
N21 Ag1 N11 C13 152.9(3) . . . . ?
N31 Ag1 N11 C13 35.4(4) . . . . ?
N41 Ag1 N11 N12 122.2(2) . . . . ?
N21 Ag1 N11 N12 -21.5(2) . . . . ?
N31 Ag1 N11 N12 -139.0(2) . . . . ?
C12 C11 N12 N11 -0.6(4) . . . . ?
C12 C11 N12 C1 -177.8(3) . . . . ?
C13 N11 N12 C11 0.7(3) . . . . ?
Ag1 N11 N12 C11 176.6(2) . . . . ?
C13 N11 N12 C1 178.1(3) . . . . ?
Ag1 N11 N12 C1 -6.0(4) . . . . ?
N22 C1 N12 C11 -126.7(3) . . . . ?
C91 C1 N12 C11 107.8(3) . . . . ?
N22 C1 N12 N11 56.3(4) . . . . ?
C91 C1 N12 N11 -69.1(4) . . . . ?
C22 C23 N21 N22 0.2(4) . . . . ?
C22 C23 N21 Ag1 149.7(2) . . . . ?
N41 Ag1 N21 C23 111.3(3) . . . . ?
N11 Ag1 N21 C23 -137.1(3) . . . . ?
N31 Ag1 N21 C23 -3.5(3) . . . . ?
N41 Ag1 N21 N22 -103.7(3) . . . . ?
N11 Ag1 N21 N22 7.8(2) . . . . ?
N31 Ag1 N21 N22 141.5(2) . . . . ?
C22 C21 N22 N21 0.8(4) . . . . ?
C22 C21 N22 C1 172.4(3) . . . . ?
C23 N21 N22 C21 -0.7(3) . . . . ?
Ag1 N21 N22 C21 -152.6(2) . . . . ?
C23 N21 N22 C1 -172.8(3) . . . . ?
Ag1 N21 N22 C1 35.2(3) . . . . ?
N12 C1 N22 C21 113.3(3) . . . . ?
C91 C1 N22 C21 -121.5(3) . . . . ?
N12 C1 N22 N21 -75.9(3) . . . . ?
C91 C1 N22 N21 49.3(4) . . . . ?
C32 C33 N31 N32 -0.5(4) . . . . ?
C32 C33 N31 Ag1 -139.0(3) . . . . ?
N41 Ag1 N31 C33 129.6(3) . . . . ?
N21 Ag1 N31 C33 -84.1(3) . . . . ?
N11 Ag1 N31 C33 20.8(3) . . . . ?
N41 Ag1 N31 N32 -4.9(2) . . . . ?
N21 Ag1 N31 N32 141.4(2) . . . . ?
N11 Ag1 N31 N32 -113.7(2) . . . . ?
C32 C31 N32 N31 0.1(4) . . . . ?
C32 C31 N32 C2 -176.5(3) . . . . ?
C33 N31 N32 C31 0.2(4) . . . . ?
Ag1 N31 N32 C31 144.4(2) . . . . ?
C33 N31 N32 C2 177.0(3) . . . . ?
Ag1 N31 N32 C2 -38.8(3) . . . . ?
N42 C2 N32 C31 -105.1(3) . . . . ?
C100 C2 N32 C31 129.2(3) . . . . ?
N42 C2 N32 N31 78.6(4) . . . . ?
C100 C2 N32 N31 -47.1(4) . . . . ?
C42 C43 N41 N42 0.9(4) . . . . ?
C42 C43 N41 Ag1 177.3(2) . . . . ?
N21 Ag1 N41 C43 80.5(3) . . . . ?
N11 Ag1 N41 C43 -23.5(3) . . . . ?
N31 Ag1 N41 C43 -155.8(3) . . . . ?
N21 Ag1 N41 N42 -103.8(3) . . . . ?
N11 Ag1 N41 N42 152.2(2) . . . . ?
N31 Ag1 N41 N42 19.8(2) . . . . ?
C42 C41 N42 N41 0.5(4) . . . . ?
C42 C41 N42 C2 175.3(3) . . . . ?
C43 N41 N42 C41 -0.9(4) . . . . ?
Ag1 N41 N42 C41 -177.4(2) . . . . ?
C43 N41 N42 C2 -176.1(3) . . . . ?
Ag1 N41 N42 C2 7.4(4) . . . . ?
N32 C2 N42 C41 127.2(3) . . . . ?
C100 C2 N42 C41 -107.5(4) . . . . ?
N32 C2 N42 N41 -58.4(4) . . . . ?
C100 C2 N42 N41 66.9(4) . . . . ?
C52 C53 N51 N52 -0.8(4) . . . . ?
C52 C53 N51 Ag2 -143.8(3) . . . . ?
N61 Ag2 N51 C53 124.8(3) . . . . ?
N81 Ag2 N51 C53 -91.3(3) . . . . ?
N71 Ag2 N51 C53 3.2(3) . . . . ?
N61 Ag2 N51 N52 -13.4(2) . . . . ?
N81 Ag2 N51 N52 130.5(2) . . . . ?
N71 Ag2 N51 N52 -135.0(2) . . . . ?
C52 C51 N52 N51 0.8(4) . . . . ?
C52 C51 N52 C3 176.6(3) . . . . ?
C53 N51 N52 C51 0.0(4) . . . . ?
Ag2 N51 N52 C51 145.8(2) . . . . ?
C53 N51 N52 C3 -176.1(3) . . . . ?
Ag2 N51 N52 C3 -30.3(4) . . . . ?
N62 C3 N52 C51 -100.4(4) . . . . ?
C101 C3 N52 C51 134.3(3) . . . . ?
N62 C3 N52 N51 75.0(4) . . . . ?
C101 C3 N52 N51 -50.3(4) . . . . ?
C62 C63 N61 N62 1.2(4) . . . . ?
C62 C63 N61 Ag2 -178.3(3) . . . . ?
N81 Ag2 N61 C63 83.3(4) . . . . ?
N51 Ag2 N61 C63 -154.3(3) . . . . ?
N71 Ag2 N61 C63 -37.7(4) . . . . ?
N81 Ag2 N61 N62 -96.1(3) . . . . ?
N51 Ag2 N61 N62 26.3(2) . . . . ?
N71 Ag2 N61 N62 142.9(2) . . . . ?
C62 C61 N62 N61 1.2(4) . . . . ?
C62 C61 N62 C3 175.3(3) . . . . ?
C63 N61 N62 C61 -1.4(4) . . . . ?
Ag2 N61 N62 C61 178.1(2) . . . . ?
C63 N61 N62 C3 -175.9(3) . . . . ?
Ag2 N61 N62 C3 3.6(4) . . . . ?
N52 C3 N62 C61 128.2(3) . . . . ?
C101 C3 N62 C61 -105.7(4) . . . . ?
N52 C3 N62 N61 -58.2(4) . . . . ?
C101 C3 N62 N61 67.9(4) . . . . ?
C72 C73 N71 N72 -0.4(4) . . . . ?
C72 C73 N71 Ag2 -150.3(3) . . . . ?
N61 Ag2 N71 C73 -89.6(3) . . . . ?
N81 Ag2 N71 C73 123.5(3) . . . . ?
N51 Ag2 N71 C73 9.1(3) . . . . ?
N61 Ag2 N71 N72 124.3(2) . . . . ?
N81 Ag2 N71 N72 -22.6(2) . . . . ?
N51 Ag2 N71 N72 -137.1(2) . . . . ?
C72 C71 N72 N71 0.0(4) . . . . ?
C72 C71 N72 C4 172.8(3) . . . . ?
C73 N71 N72 C71 0.2(4) . . . . ?
Ag2 N71 N72 C71 154.1(2) . . . . ?
C73 N71 N72 C4 -173.0(3) . . . . ?
Ag2 N71 N72 C4 -19.2(4) . . . . ?
N82 C4 N72 C71 -100.8(4) . . . . ?
C110 C4 N72 C71 134.0(3) . . . . ?
N82 C4 N72 N71 71.3(4) . . . . ?
C110 C4 N72 N71 -53.9(4) . . . . ?
C82 C83 N81 N82 -0.1(4) . . . . ?
C82 C83 N81 Ag2 168.9(3) . . . . ?
N61 Ag2 N81 C83 87.8(3) . . . . ?
N51 Ag2 N81 C83 -24.5(3) . . . . ?
N71 Ag2 N81 C83 -139.9(3) . . . . ?
N61 Ag2 N81 N82 -104.7(2) . . . . ?
N51 Ag2 N81 N82 143.1(2) . . . . ?
N71 Ag2 N81 N82 27.7(2) . . . . ?
C83 N81 N82 C81 0.0(4) . . . . ?
Ag2 N81 N82 C81 -170.6(2) . . . . ?
C83 N81 N82 C4 179.7(3) . . . . ?
Ag2 N81 N82 C4 9.0(4) . . . . ?
C82 C81 N82 N81 0.0(4) . . . . ?
C82 C81 N82 C4 -179.6(3) . . . . ?
N72 C4 N82 N81 -65.4(4) . . . . ?
C110 C4 N82 N81 60.1(4) . . . . ?
N72 C4 N82 C81 114.2(4) . . . . ?
C110 C4 N82 C81 -120.3(4) . . . . ?
C1 C91 O1 C92 -168.4(2) . . . . ?
C93 C92 O1 C91 68.4(3) . . . . ?
C2 C100 O2 C99 -160.4(3) . . . . ?
C96 C99 O2 C100 63.1(4) . . . . ?
C3 C101 O3 C102 -154.0(3) . . . . ?
C103 C102 O3 C101 66.0(3) . . . . ?
C4 C110 O4 C109 -158.2(3) . . . . ?
C106 C109 O4 C110 68.8(4) . . . . ?
