#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:51:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179158 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/19/4311904.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_4311904
loop_
_publ_author_name
'Michaele J. Hardie'
'Christopher J. Sumby'
_publ_contact_author_email       ' m.j.hardie@leeds.ac.uk '
_publ_contact_author_fax         ' 44 - 113 - 343 6565'
_publ_contact_author_name        ' Michaele J. Hardie'
_publ_section_title
;
 Interwoven 2-D Coordination Network Prepared from the Molecular Host
 Tris(isonicotinoyl)cyclotriguaiacylene and Silver(I) Cobalt(III)
 Bis(dicarbollide)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6872
_journal_page_last               6874
_journal_paper_doi               10.1021/ic049160s
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C106 H115 Ag B18 Co N15 O18'
_chemical_formula_weight         2248.51
_chemical_name_common
;
bis{tris(isonicotinoyl)cyclotriguaiacylene}silver(I) cobalt(III) 
bis(dicarbollide) acetonitrile clathrate
;
_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                92.35(3)
_cell_angle_beta                 92.62(3)
_cell_angle_gamma                112.93(3)
_cell_formula_units_Z            2
_cell_length_a                   12.254(3)
_cell_length_b                   15.449(3)
_cell_length_c                   33.084(7)
_cell_measurement_temperature    150(2)
_cell_volume                     5750(3)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1996)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1996)'
_computing_molecular_graphics    'Xseed (Barbour, 2001)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type
;
Nonius KappaCCD area detector diffractometer
;
_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  0.1087
_diffrn_reflns_av_sigmaI/netI    0.0869
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            49470
_diffrn_reflns_theta_full        21.98
_diffrn_reflns_theta_max         21.98
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    0.385
_exptl_absorpt_correction_T_max  0.9699
_exptl_absorpt_correction_T_min  0.8739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Using multiple and symmetry-related data measurements via the program SORTAV
 See R.H. Blessing, Acta Cryst (1995), A51, 33-38 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.665
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1416
_refine_ls_number_reflns         13584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1180
_refine_ls_R_factor_gt           0.0856
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0528P)²+33.3584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1963
_refine_ls_wR_factor_ref         0.2128
_reflns_number_gt                10153
_reflns_number_total             13584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049160ssi20040628_102932_2.cif
_cod_data_source_block           "'compound_4':"
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
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        5750(2)
_cod_database_code               4311904
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 0.12541(6) 0.67773(5) 0.253341(19) 0.0432(2) Uani 1 1 d . . .
Co1 Co 0.80791(10) 0.10632(8) 0.24791(3) 0.0435(3) Uani 1 1 d . . .
O3A O 0.9873(4) 0.6927(4) 0.02678(16) 0.0388(14) Uani 1 1 d . . .
O3B O -0.0916(5) 0.8496(4) 0.42154(17) 0.0439(15) Uani 1 1 d . . .
O4A O 0.9662(5) 0.7902(4) 0.09336(17) 0.0481(15) Uani 1 1 d . . .
O4B O 0.0156(5) 0.8283(4) 0.49017(18) 0.0506(16) Uani 1 1 d . . .
O10A O 0.4580(4) 0.8660(4) 0.08135(15) 0.0363(13) Uani 1 1 d . . .
O10B O -0.2677(6) 0.6765(7) 0.6445(3) 0.092(3) Uani 1 1 d . . .
O11A O 0.3189(4) 0.8293(4) 0.01195(16) 0.0383(14) Uani 1 1 d . . .
O11B O -0.5033(5) 0.6304(4) 0.64499(18) 0.0547(17) Uani 1 1 d . . .
O17A O 0.4385(4) 0.6696(4) -0.15715(15) 0.0385(14) Uani 1 1 d . . .
O17B O -0.7899(5) 0.6848(5) 0.46990(19) 0.0515(16) Uani 1 1 d . . .
O18A O 0.6093(5) 0.6041(4) -0.14953(17) 0.0474(15) Uani 1 1 d . . .
O18B O -0.6742(5) 0.7662(5) 0.40493(19) 0.0587(18) Uani 1 1 d . . .
O38A O 0.8173(5) 0.5992(4) 0.05242(19) 0.0516(16) Uani 1 1 d . . .
O38B O -0.1860(5) 0.6952(4) 0.43241(18) 0.0549(17) Uani 1 1 d . . .
O58A O 0.4029(5) 0.7108(4) 0.06505(18) 0.0464(15) Uani 1 1 d . . .
O58B O -0.2698(7) 0.7364(6) 0.7069(3) 0.098(3) Uani 1 1 d . . .
O78A O 0.3700(5) 0.5871(5) -0.1021(2) 0.0635(19) Uani 1 1 d . . .
O78B O -0.7130(6) 0.5867(5) 0.4419(2) 0.076(2) Uani 1 1 d . . .
N1D N 0.3930(8) 0.4635(8) 0.0428(3) 0.087(3) Uani 1 1 d . . .
N4D N 0.6277(17) 0.7585(14) 0.1591(6) 0.184(7) Uiso 1 1 d . . .
N7D N 0.4259(18) 0.5809(15) 0.2366(6) 0.188(8) Uiso 1 1 d . . .
N10D N 1.0533(13) 0.8613(11) 0.2294(4) 0.120(5) Uani 1 1 d . . .
N13D N 0.4227(9) 0.0460(7) 0.1996(3) 0.079(3) Uani 1 1 d . . .
N16D N 0.5474(9) 0.2618(8) 0.2616(3) 0.088(3) Uani 1 1 d . . .
N19D N 0.636(2) 0.6622(17) 0.3322(8) 0.252(10) Uiso 1 1 d . . .
N22D N 0.5758(10) 0.4524(8) 0.4623(4) 0.105(4) Uani 1 1 d . . .
N25D N 0.3475(9) 0.9048(9) 0.2847(3) 0.088(3) Uani 1 1 d . . .
N31A N 1.0851(7) 0.4232(6) 0.0692(2) 0.052(2) Uani 1 1 d . . .
N31B N 0.0550(6) 0.7069(6) 0.3112(2) 0.048(2) Uani 1 1 d . . .
N51A N 0.2283(6) 0.7201(5) 0.1984(2) 0.0478(19) Uani 1 1 d . . .
N51B N -0.1551(7) 0.4572(6) 0.7203(3) 0.060(2) Uani 1 1 d . . .
N71A N 0.0559(7) 0.4240(5) -0.2134(2) 0.057(2) Uani 1 1 d . . .
N71B N -1.1559(8) 0.4011(8) 0.4317(3) 0.081(3) Uani 1 1 d . . .
C1A C 0.8845(6) 0.8607(5) -0.0217(2) 0.032(2) Uani 1 1 d . . .
C1B C -0.2385(7) 0.9470(6) 0.4957(3) 0.039(2) Uani 1 1 d . . .
B1 B 0.8526(9) 0.2212(8) 0.2117(3) 0.050(3) Uani 1 1 d . . .
H1 H 0.8638 0.2871 0.2301 0.060 Uiso 1 1 calc R . .
C2A C 0.9198(6) 0.7858(6) -0.0155(2) 0.033(2) Uani 1 1 d . . .
H2A H 0.9276 0.7495 -0.0383 0.039 Uiso 1 1 calc R . .
C2B C -0.2081(7) 0.9157(6) 0.4594(3) 0.039(2) Uani 1 1 d . . .
H2B H -0.2448 0.9223 0.4345 0.047 Uiso 1 1 calc R . .
C2 C 0.7217(7) 0.1317(6) 0.1980(3) 0.046(2) Uani 1 1 d . . .
H2 H 0.6381 0.1358 0.2084 0.055 Uiso 1 1 calc R . .
C2D C 0.4167(9) 0.4036(8) 0.0305(3) 0.057(3) Uani 1 1 d . . .
C3A C 0.9432(6) 0.7640(6) 0.0225(3) 0.035(2) Uani 1 1 d . . .
C3B C -0.1257(7) 0.8751(6) 0.4591(3) 0.042(2) Uani 1 1 d . . .
C3 C 0.7354(9) 0.0332(7) 0.1935(3) 0.057(3) Uani 1 1 d . . .
H3 H 0.6615 -0.0338 0.2006 0.069 Uiso 1 1 calc R . .
C3D C 0.4475(10) 0.3313(7) 0.0152(3) 0.074(3) Uani 1 1 d . . .
H3D1 H 0.5085 0.3561 -0.0042 0.110 Uiso 1 1 calc R . .
H3D2 H 0.3772 0.2812 0.0016 0.110 Uiso 1 1 calc R . .
H3D3 H 0.4786 0.3059 0.0376 0.110 Uiso 1 1 calc R . .
C4A C 0.9325(7) 0.8133(6) 0.0564(3) 0.038(2) Uani 1 1 d . . .
C4B C -0.0663(7) 0.8676(6) 0.4946(3) 0.038(2) Uani 1 1 d . . .
B4 B 0.8771(11) 0.0446(8) 0.2041(3) 0.056(3) Uani 1 1 d . . .
H4 H 0.9047 -0.0101 0.2172 0.067 Uiso 1 1 calc R . .
C5A C 0.8931(7) 0.8856(6) 0.0511(2) 0.038(2) Uani 1 1 d . . .
H5A H 0.8825 0.9194 0.0743 0.045 Uiso 1 1 calc R . .
C5B C -0.0949(7) 0.8988(6) 0.5303(3) 0.041(2) Uani 1 1 d . . .
H5B H -0.0553 0.8940 0.5550 0.049 Uiso 1 1 calc R . .
B5 B 0.9611(10) 0.1668(9) 0.2148(3) 0.062(3) Uani 1 1 d . . .
H5 H 1.0462 0.1957 0.2342 0.075 Uiso 1 1 calc R . .
C5D C 0.6163(12) 0.6957(14) 0.1353(6) 0.121(5) Uani 1 1 d . . .
C6A C 0.8690(6) 0.9094(5) 0.0123(2) 0.0304(19) Uani 1 1 d . . .
C6B C -0.1811(7) 0.9378(6) 0.5318(3) 0.040(2) Uani 1 1 d . . .
B6 B 0.9410(10) 0.2239(10) 0.1706(4) 0.069(4) Uani 1 1 d . . .
H6 H 1.0128 0.2912 0.1627 0.082 Uiso 1 1 calc R . .
C6D C 0.6013(13) 0.6332(12) 0.1020(5) 0.128(6) Uani 1 1 d . . .
H6D1 H 0.5246 0.6200 0.0873 0.192 Uiso 1 1 calc R . .
H6D2 H 0.6035 0.5743 0.1112 0.192 Uiso 1 1 calc R . .
H6D3 H 0.6654 0.6612 0.0839 0.192 Uiso 1 1 calc R . .
C7A C 0.8240(6) 0.9876(5) 0.0099(2) 0.034(2) Uani 1 1 d . . .
H7A1 H 0.8539 1.0232 -0.0142 0.040 Uiso 1 1 calc R . .
H7A2 H 0.8555 1.0317 0.0342 0.040 Uiso 1 1 calc R . .
C7B C -0.2103(7) 0.9655(6) 0.5732(2) 0.043(2) Uani 1 1 d . . .
H7B1 H -0.2471 1.0119 0.5704 0.051 Uiso 1 1 calc R . .
H7B2 H -0.1362 0.9955 0.5908 0.051 Uiso 1 1 calc R . .
B7 B 0.7892(10) 0.2030(8) 0.1607(3) 0.056(3) Uani 1 1 d . . .
H7 H 0.7584 0.2550 0.1466 0.067 Uiso 1 1 calc R . .
C8A C 0.6881(7) 0.9492(5) 0.0073(2) 0.035(2) Uani 1 1 d . . .
C8B C -0.2951(7) 0.8798(6) 0.5930(2) 0.038(2) Uani 1 1 d . . .
B8 B 0.7115(11) 0.0824(9) 0.1498(3) 0.060(3) Uani 1 1 d . . .
H8 H 0.6294 0.0541 0.1288 0.072 Uiso 1 1 calc R . .
C8D C 0.4617(15) 0.6640(15) 0.2464(6) 0.131(6) Uani 1 1 d . . .
C9A C 0.6326(7) 0.9252(5) 0.0436(2) 0.036(2) Uani 1 1 d . . .
H9A H 0.6798 0.9364 0.0684 0.044 Uiso 1 1 calc R . .
C9B C -0.2467(8) 0.8243(6) 0.6142(3) 0.047(2) Uani 1 1 d . . .
H9B H -0.1630 0.8437 0.6177 0.056 Uiso 1 1 calc R . .
B9 B 0.8128(11) 0.0275(9) 0.1533(3) 0.065(3) Uani 1 1 d . . .
H9 H 0.7972 -0.0382 0.1341 0.079 Uiso 1 1 calc R . .
C9D C 0.5019(14) 0.7587(10) 0.2569(5) 0.123(6) Uani 1 1 d . . .
H9D1 H 0.5330 0.7943 0.2332 0.184 Uiso 1 1 calc R . .
H9D2 H 0.5653 0.7757 0.2786 0.184 Uiso 1 1 calc R . .
H9D3 H 0.4364 0.7737 0.2664 0.184 Uiso 1 1 calc R . .
C10A C 0.5100(7) 0.8855(5) 0.0441(2) 0.034(2) Uani 1 1 d . . .
C10B C -0.3191(8) 0.7428(7) 0.6298(3) 0.050(2) Uani 1 1 d . . .
B10 B 0.9541(10) 0.1142(11) 0.1661(3) 0.069(4) Uani 1 1 d . . .
H10 H 1.0350 0.1068 0.1548 0.083 Uiso 1 1 calc R . .
C11A C 0.4388(7) 0.8686(5) 0.0082(2) 0.035(2) Uani 1 1 d . . .
C11B C -0.4423(7) 0.7127(6) 0.6273(3) 0.043(2) Uani 1 1 d . . .
B11 B 0.8552(10) 0.1389(10) 0.1330(4) 0.063(3) Uani 1 1 d . . .
H11 H 0.8712 0.1492 0.1001 0.076 Uiso 1 1 calc R . .
C11D C 0.9546(19) 0.8201(13) 0.2369(4) 0.107(5) Uani 1 1 d . . .
C12A C 0.4943(6) 0.8952(5) -0.0277(2) 0.0302(19) Uani 1 1 d . . .
H12A H 0.4465 0.8863 -0.0522 0.036 Uiso 1 1 calc R . .
C12B C -0.4897(7) 0.7670(6) 0.6072(2) 0.042(2) Uani 1 1 d . . .
H12B H -0.5734 0.7486 0.6053 0.050 Uiso 1 1 calc R . .
B12 B 0.9108(13) 0.0911(14) 0.2977(4) 0.096(6) Uani 1 1 d . . .
H12 H 0.9985 0.0917 0.2891 0.115 Uiso 1 1 calc R . .
C12D C 0.8288(14) 0.7669(11) 0.2468(5) 0.122(5) Uani 1 1 d . . .
H12C H 0.8154 0.7007 0.2500 0.183 Uiso 1 1 calc R . .
H12D H 0.7748 0.7707 0.2249 0.183 Uiso 1 1 calc R . .
H12E H 0.8139 0.7943 0.2722 0.183 Uiso 1 1 calc R . .
C13A C 0.6172(7) 0.9345(5) -0.0289(2) 0.034(2) Uani 1 1 d . . .
C13B C -0.4185(7) 0.8491(6) 0.5891(2) 0.038(2) Uani 1 1 d . . .
B13 B 0.8814(10) 0.1926(11) 0.3004(3) 0.069(4) Uani 1 1 d . . .
H13 H 0.9492 0.2625 0.2932 0.083 Uiso 1 1 calc R . .
C14A C 0.6664(7) 0.9545(6) -0.0704(2) 0.036(2) Uani 1 1 d . . .
H14A H 0.6188 0.9811 -0.0868 0.043 Uiso 1 1 calc R . .
H14B H 0.7493 1.0016 -0.0673 0.043 Uiso 1 1 calc R . .
C14B C -0.4814(7) 0.9021(6) 0.5663(3) 0.041(2) Uani 1 1 d . . .
H14C H -0.4274 0.9694 0.5669 0.050 Uiso 1 1 calc R . .
H14D H -0.5521 0.8980 0.5808 0.050 Uiso 1 1 calc R . .
C14 C 0.7283(7) 0.1552(7) 0.2917(3) 0.050(2) Uani 1 1 d . . .
H14 H 0.6908 0.2031 0.2775 0.059 Uiso 1 1 calc R . .
C14D C 0.3462(11) 0.0722(8) 0.1991(3) 0.072(3) Uani 1 1 d . . .
C15A C 0.6631(7) 0.8654(5) -0.0921(2) 0.032(2) Uani 1 1 d . . .
C15B C -0.5209(7) 0.8657(6) 0.5221(3) 0.038(2) Uani 1 1 d . . .
C15 C 0.6680(9) 0.0431(7) 0.2825(3) 0.061(3) Uani 1 1 d . . .
H15 H 0.5870 0.0101 0.2612 0.073 Uiso 1 1 calc R . .
C15D C 0.2483(10) 0.1054(10) 0.2000(4) 0.090(4) Uani 1 1 d . . .
H15A H 0.1758 0.0540 0.2071 0.135 Uiso 1 1 calc R . .
H15B H 0.2350 0.1259 0.1733 0.135 Uiso 1 1 calc R . .
H15C H 0.2693 0.1584 0.2203 0.135 Uiso 1 1 calc R . .
C16A C 0.5574(7) 0.8107(6) -0.1156(2) 0.035(2) Uani 1 1 d . . .
H16A H 0.4954 0.8327 -0.1192 0.042 Uiso 1 1 calc R . .
C16B C -0.6315(7) 0.7891(6) 0.5144(3) 0.042(2) Uani 1 1 d . . .
H16B H -0.6755 0.7598 0.5365 0.050 Uiso 1 1 calc R . .
B16 B 0.7722(15) -0.0053(11) 0.2848(4) 0.090(5) Uani 1 1 d . . .
H16 H 0.7667 -0.0704 0.2671 0.108 Uiso 1 1 calc R . .
C17A C 0.5459(7) 0.7247(6) -0.1332(2) 0.039(2) Uani 1 1 d . . .
C17B C -0.6764(7) 0.7564(6) 0.4754(3) 0.046(2) Uani 1 1 d . . .
B17 B 0.7836(9) 0.1836(11) 0.3413(3) 0.065(4) Uani 1 1 d . . .
H17 H 0.7865 0.2472 0.3596 0.078 Uiso 1 1 calc R . .
C17D C 0.5194(10) 0.3215(11) 0.2564(4) 0.079(4) Uani 1 1 d . . .
C18A C 0.6331(7) 0.6884(6) -0.1297(2) 0.037(2) Uani 1 1 d . . .
C18B C -0.6177(7) 0.7991(6) 0.4423(3) 0.046(2) Uani 1 1 d . . .
B18 B 0.8974(14) 0.1406(15) 0.3455(4) 0.101(6) Uani 1 1 d . . .
H18 H 0.9770 0.1753 0.3672 0.121 Uiso 1 1 calc R . .
C18D C 0.4924(14) 0.4084(11) 0.2505(4) 0.116(5) Uani 1 1 d . . .
H18A H 0.5589 0.4559 0.2381 0.174 Uiso 1 1 calc R . .
H18B H 0.4810 0.4340 0.2768 0.174 Uiso 1 1 calc R . .
H18C H 0.4200 0.3912 0.2327 0.174 Uiso 1 1 calc R . .
C19A C 0.7383(7) 0.7449(6) -0.1074(2) 0.037(2) Uani 1 1 d . . .
H19A H 0.8013 0.7238 -0.1051 0.045 Uiso 1 1 calc R . .
C19B C -0.5079(7) 0.8736(6) 0.4497(3) 0.043(2) Uani 1 1 d . . .
H19B H -0.4652 0.9032 0.4274 0.052 Uiso 1 1 calc R . .
B19 B 0.8296(19) 0.0168(16) 0.3362(5) 0.127(8) Uani 1 1 d . . .
H19 H 0.8630 -0.0322 0.3516 0.152 Uiso 1 1 calc R . .
C20A C 0.7534(6) 0.8307(5) -0.0885(2) 0.0315(19) Uani 1 1 d . . .
C20B C -0.4588(7) 0.9061(6) 0.4893(3) 0.042(2) Uani 1 1 d . . .
B20 B 0.6753(16) -0.0135(12) 0.3247(5) 0.108(6) Uani 1 1 d . . .
H20 H 0.6056 -0.0826 0.3319 0.130 Uiso 1 1 calc R . .
C20D C 0.5858(19) 0.6488(15) 0.3627(7) 0.160(7) Uiso 1 1 d . . .
C21A C 0.8727(6) 0.8871(5) -0.0651(2) 0.0323(19) Uani 1 1 d . . .
H21A H 0.9364 0.8792 -0.0803 0.039 Uiso 1 1 calc R . .
H21B H 0.8863 0.9547 -0.0644 0.039 Uiso 1 1 calc R . .
C21B C -0.3351(7) 0.9855(6) 0.4937(3) 0.040(2) Uani 1 1 d . . .
H21C H -0.3245 1.0253 0.4703 0.048 Uiso 1 1 calc R . .
H21D H -0.3278 1.0255 0.5186 0.048 Uiso 1 1 calc R . .
C21D C 0.5331(13) 0.5996(10) 0.3945(4) 0.115(5) Uiso 1 1 d . . .
H21E H 0.4550 0.5518 0.3852 0.173 Uiso 1 1 calc R . .
H21F H 0.5235 0.6427 0.4153 0.173 Uiso 1 1 calc R . .
H21G H 0.5827 0.5688 0.4060 0.173 Uiso 1 1 calc R . .
B22 B 0.6481(11) 0.0871(10) 0.3284(3) 0.066(4) Uani 1 1 d . . .
H22 H 0.5611 0.0857 0.3380 0.079 Uiso 1 1 calc R . .
B23 B 0.7551(13) 0.0758(13) 0.3628(4) 0.096(5) Uani 1 1 d . . .
H23 H 0.7412 0.0671 0.3959 0.116 Uiso 1 1 calc R . .
C23D C 0.4951(12) 0.3958(9) 0.4751(4) 0.080(3) Uani 1 1 d . . .
C24D C 0.3924(10) 0.3239(8) 0.4901(4) 0.092(4) Uani 1 1 d . . .
H24A H 0.3394 0.2861 0.4672 0.138 Uiso 1 1 calc R . .
H24B H 0.3503 0.3536 0.5065 0.138 Uiso 1 1 calc R . .
H24C H 0.4177 0.2832 0.5068 0.138 Uiso 1 1 calc R . .
C26D C 0.3322(10) 0.9749(10) 0.2912(3) 0.069(3) Uani 1 1 d . . .
C27D C 0.3154(11) 1.0579(9) 0.3010(3) 0.081(3) Uani 1 1 d . . .
H27A H 0.3310 1.0735 0.3303 0.121 Uiso 1 1 calc R . .
H27B H 0.2335 1.0488 0.2931 0.121 Uiso 1 1 calc R . .
H27C H 0.3702 1.1096 0.2865 0.121 Uiso 1 1 calc R . .
C32A C 0.9725(9) 0.4046(7) 0.0770(3) 0.051(2) Uani 1 1 d . . .
H32A H 0.9293 0.3472 0.0888 0.061 Uiso 1 1 calc R . .
C32B C 0.0674(9) 0.7945(7) 0.3237(3) 0.061(3) Uani 1 1 d . . .
H32B H 0.1170 0.8458 0.3095 0.073 Uiso 1 1 calc R . .
C33A C 0.9147(8) 0.4639(6) 0.0687(3) 0.047(2) Uani 1 1 d . . .
H33A H 0.8337 0.4467 0.0743 0.056 Uiso 1 1 calc R . .
C33B C 0.0118(8) 0.8140(7) 0.3563(3) 0.057(3) Uani 1 1 d . . .
H33B H 0.0249 0.8773 0.3642 0.068 Uiso 1 1 calc R . .
C34A C 0.9781(7) 0.5498(6) 0.0521(2) 0.039(2) Uani 1 1 d . . .
C34B C -0.0622(7) 0.7415(6) 0.3771(2) 0.041(2) Uani 1 1 d . . .
C35A C 1.0948(8) 0.5700(6) 0.0441(3) 0.044(2) Uani 1 1 d . . .
H35A H 1.1412 0.6275 0.0329 0.053 Uiso 1 1 calc R . .
C35B C -0.0773(8) 0.6514(7) 0.3645(3) 0.051(2) Uani 1 1 d . . .
H35B H -0.1286 0.5991 0.3779 0.062 Uiso 1 1 calc R . .
C36A C 1.1429(8) 0.5047(7) 0.0526(3) 0.050(2) Uani 1 1 d . . .
H36A H 1.2226 0.5189 0.0463 0.060 Uiso 1 1 calc R . .
C36B C -0.0168(9) 0.6380(7) 0.3322(3) 0.058(3) Uani 1 1 d . . .
H36B H -0.0272 0.5752 0.3244 0.069 Uiso 1 1 calc R . .
C37A C 0.9182(8) 0.6141(6) 0.0438(3) 0.042(2) Uani 1 1 d . . .
C37B C -0.1211(8) 0.7567(7) 0.4129(3) 0.045(2) Uani 1 1 d . . .
C41A C 0.9761(10) 0.8514(8) 0.1280(3) 0.073(3) Uani 1 1 d . . .
H41A H 1.0016 0.8273 0.1520 0.109 Uiso 1 1 calc R . .
H41B H 0.8988 0.8544 0.1319 0.109 Uiso 1 1 calc R . .
H41C H 1.0347 0.9146 0.1239 0.109 Uiso 1 1 calc R . .
C41B C 0.0628(8) 0.8069(7) 0.5270(3) 0.056(3) Uani 1 1 d . . .
H41D H 0.1200 0.7790 0.5207 0.085 Uiso 1 1 calc R . .
H41E H -0.0019 0.7622 0.5412 0.085 Uiso 1 1 calc R . .
H41F H 0.1028 0.8648 0.5443 0.085 Uiso 1 1 calc R . .
C52A C 0.2845(8) 0.8092(6) 0.1876(3) 0.050(2) Uani 1 1 d . . .
H52A H 0.2849 0.8596 0.2051 0.060 Uiso 1 1 calc R . .
C52B C -0.2042(10) 0.4485(9) 0.6830(4) 0.082(3) Uani 1 1 d . . .
H52B H -0.2209 0.3935 0.6658 0.098 Uiso 1 1 calc R . .
C53A C 0.3412(8) 0.8297(6) 0.1522(3) 0.048(2) Uani 1 1 d . . .
H53A H 0.3791 0.8934 0.1456 0.058 Uiso 1 1 calc R . .
C53B C -0.2332(8) 0.5320(10) 0.6689(3) 0.083(4) Uani 1 1 d . . .
H53B H -0.2632 0.5345 0.6422 0.100 Uiso 1 1 calc R . .
C54A C 0.3437(7) 0.7593(6) 0.1264(2) 0.037(2) Uani 1 1 d . . .
C54B C -0.2113(10) 0.6014(7) 0.6985(4) 0.064(3) Uani 1 1 d . . .
C55A C 0.2860(8) 0.6673(6) 0.1376(3) 0.049(2) Uani 1 1 d . . .
H55A H 0.2845 0.6159 0.1205 0.059 Uiso 1 1 calc R . .
C55B C -0.1700(10) 0.6063(9) 0.7351(4) 0.087(4) Uani 1 1 d . . .
H55B H -0.1608 0.6559 0.7546 0.105 Uiso 1 1 calc R . .
C56A C 0.2312(8) 0.6517(6) 0.1733(3) 0.049(2) Uani 1 1 d . . .
H56A H 0.1933 0.5885 0.1805 0.059 Uiso 1 1 calc R . .
C56B C -0.1409(9) 0.5326(8) 0.7427(4) 0.081(4) Uani 1 1 d . . .
H56B H -0.1037 0.5363 0.7689 0.098 Uiso 1 1 calc R . .
C57A C 0.4021(7) 0.7743(7) 0.0877(3) 0.038(2) Uani 1 1 d . . .
C57B C -0.2577(10) 0.6813(9) 0.6790(6) 0.098(6) Uani 1 1 d . . .
C61A C 0.2467(7) 0.8019(6) -0.0250(3) 0.048(2) Uani 1 1 d . . .
H61A H 0.1628 0.7746 -0.0191 0.073 Uiso 1 1 calc R . .
H61B H 0.2661 0.7551 -0.0407 0.073 Uiso 1 1 calc R . .
H61C H 0.2615 0.8572 -0.0408 0.073 Uiso 1 1 calc R . .
C61B C -0.6295(8) 0.5986(7) 0.6424(3) 0.068(3) Uani 1 1 d . . .
H61D H -0.6638 0.5391 0.6557 0.101 Uiso 1 1 calc R . .
H61E H -0.6591 0.5888 0.6139 0.101 Uiso 1 1 calc R . .
H61F H -0.6525 0.6459 0.6560 0.101 Uiso 1 1 calc R . .
C72A C 0.1310(8) 0.5076(7) -0.2258(3) 0.051(2) Uani 1 1 d . . .
H72A H 0.1143 0.5265 -0.2516 0.061 Uiso 1 1 calc R . .
C72B C -1.0634(11) 0.3823(8) 0.4201(4) 0.081(4) Uani 1 1 d . . .
H72B H -1.0787 0.3228 0.4067 0.097 Uiso 1 1 calc R . .
C73A C 0.2304(7) 0.5661(6) -0.2027(3) 0.047(2) Uani 1 1 d . . .
H73A H 0.2817 0.6239 -0.2125 0.056 Uiso 1 1 calc R . .
C73B C -0.9455(10) 0.4464(8) 0.4269(3) 0.071(3) Uani 1 1 d . . .
H73B H -0.8816 0.4300 0.4197 0.086 Uiso 1 1 calc R . .
C74A C 0.2548(7) 0.5400(6) -0.1649(3) 0.041(2) Uani 1 1 d . . .
C74B C -0.9254(9) 0.5340(8) 0.4444(3) 0.064(3) Uani 1 1 d . . .
C75A C 0.1800(8) 0.4537(6) -0.1522(3) 0.049(2) Uani 1 1 d . . .
H75A H 0.1956 0.4328 -0.1267 0.059 Uiso 1 1 calc R . .
C75B C -1.0200(9) 0.5543(8) 0.4557(3) 0.061(3) Uani 1 1 d . . .
H75B H -1.0072 0.6146 0.4679 0.073 Uiso 1 1 calc R . .
C76A C 0.0812(8) 0.3982(7) -0.1777(3) 0.054(3) Uani 1 1 d . . .
H76A H 0.0298 0.3391 -0.1690 0.064 Uiso 1 1 calc R . .
C76B C -1.1319(9) 0.4870(9) 0.4493(3) 0.070(3) Uani 1 1 d . . .
H76B H -1.1964 0.5015 0.4576 0.084 Uiso 1 1 calc R . .
C77A C 0.3601(7) 0.5995(6) -0.1370(3) 0.044(2) Uani 1 1 d . . .
C77B C -0.7982(10) 0.6032(8) 0.4515(3) 0.063(3) Uani 1 1 d . . .
C81A C 0.6982(9) 0.5665(7) -0.1469(3) 0.061(3) Uani 1 1 d . . .
H81A H 0.6694 0.5051 -0.1620 0.091 Uiso 1 1 calc R . .
H81B H 0.7162 0.5591 -0.1184 0.091 Uiso 1 1 calc R . .
H81C H 0.7702 0.6095 -0.1584 0.091 Uiso 1 1 calc R . .
C81B C -0.6184(10) 0.8139(8) 0.3705(3) 0.082(4) Uani 1 1 d . . .
H81D H -0.6682 0.7839 0.3458 0.123 Uiso 1 1 calc R . .
H81E H -0.5406 0.8103 0.3688 0.123 Uiso 1 1 calc R . .
H81F H -0.6081 0.8800 0.3734 0.123 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
Co Co 0.3494 0.9721 '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'
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
N51A Ag1 N31B 153.7(3) . . ?
N51A Ag1 N51B 108.8(3) . 2_566 ?
N31B Ag1 N51B 92.1(3) . 2_566 ?
N51A Ag1 N71A 92.9(3) . 2_565 ?
N31B Ag1 N71A 102.3(3) . 2_565 ?
N51B Ag1 N71A 92.0(3) 2_566 2_565 ?
C15 Co1 C3 98.8(4) . . ?
C15 Co1 C2 100.5(4) . . ?
C3 Co1 C2 45.8(4) . . ?
C15 Co1 C14 46.1(4) . . ?
C3 Co1 C14 129.1(4) . . ?
C2 Co1 C14 97.9(4) . . ?
C15 Co1 B16 49.2(5) . . ?
C3 Co1 B16 99.6(5) . . ?
C2 Co1 B16 134.6(6) . . ?
C14 Co1 B16 83.1(5) . . ?
C15 Co1 B13 83.6(5) . . ?
C3 Co1 B13 174.2(5) . . ?
C2 Co1 B13 128.7(5) . . ?
C14 Co1 B13 49.7(4) . . ?
B16 Co1 B13 86.0(6) . . ?
C15 Co1 B1 132.9(4) . . ?
C3 Co1 B1 82.1(4) . . ?
C2 Co1 B1 48.1(4) . . ?
C14 Co1 B1 97.6(4) . . ?
B16 Co1 B1 177.2(6) . . ?
B13 Co1 B1 92.4(5) . . ?
C15 Co1 B4 128.8(4) . . ?
C3 Co1 B4 48.3(4) . . ?
C2 Co1 B4 82.5(4) . . ?
C14 Co1 B4 174.8(4) . . ?
B16 Co1 B4 92.9(5) . . ?
B13 Co1 B4 133.5(5) . . ?
B1 Co1 B4 86.5(5) . . ?
C15 Co1 B12 84.5(5) . . ?
C3 Co1 B12 136.1(6) . . ?
C2 Co1 B12 174.5(5) . . ?
C14 Co1 B12 83.8(5) . . ?
B16 Co1 B12 50.7(7) . . ?
B13 Co1 B12 49.1(6) . . ?
B1 Co1 B12 126.7(6) . . ?
B4 Co1 B12 96.2(5) . . ?
C15 Co1 B5 175.3(4) . . ?
C3 Co1 B5 83.0(4) . . ?
C2 Co1 B5 83.9(4) . . ?
C14 Co1 B5 135.3(4) . . ?
B16 Co1 B5 126.3(6) . . ?
B13 Co1 B5 95.0(5) . . ?
B1 Co1 B5 51.5(5) . . ?
B4 Co1 B5 49.8(5) . . ?
B12 Co1 B5 91.2(5) . . ?
C37A O3A C3A 117.5(6) . . ?
C37B O3B C3B 116.5(6) . . ?
C4A O4A C41A 118.0(7) . . ?
C4B O4B C41B 115.6(7) . . ?
C57A O10A C10A 115.4(6) . . ?
C57B O10B C10B 110.7(13) . . ?
C11A O11A C61A 115.8(6) . . ?
C11B O11B C61B 116.4(7) . . ?
C77A O17A C17A 113.5(6) . . ?
C77B O17B C17B 116.7(7) . . ?
C18A O18A C81A 117.6(6) . . ?
C18B O18B C81B 117.7(7) . . ?
C32A N31A C36A 116.1(8) . . ?
C36B N31B C32B 115.3(8) . . ?
C36B N31B Ag1 122.0(6) . . ?
C32B N31B Ag1 122.0(6) . . ?
C56A N51A C52A 116.8(7) . . ?
C56A N51A Ag1 117.4(6) . . ?
C52A N51A Ag1 125.7(6) . . ?
C56B N51B C52B 117.6(10) . . ?
C56B N51B Ag1 123.3(8) . 2_566 ?
C52B N51B Ag1 118.4(8) . 2_566 ?
C76A N71A C72A 118.0(8) . . ?
C76A N71A Ag1 119.3(6) . 2_565 ?
C72A N71A Ag1 122.7(6) . 2_565 ?
C72B N71B C76B 117.2(10) . . ?
C6A C1A C2A 117.6(7) . . ?
C6A C1A C21A 124.2(7) . . ?
C2A C1A C21A 118.1(7) . . ?
C2B C1B C6B 117.9(8) . . ?
C2B C1B C21B 117.9(8) . . ?
C6B C1B C21B 124.1(8) . . ?
C2 B1 B6 103.9(8) . . ?
C2 B1 B7 58.7(6) . . ?
B6 B1 B7 59.7(6) . . ?
C2 B1 B5 105.0(8) . . ?
B6 B1 B5 59.7(6) . . ?
B7 B1 B5 108.2(8) . . ?
C2 B1 Co1 64.9(5) . . ?
B6 B1 Co1 117.9(7) . . ?
B7 B1 Co1 118.8(7) . . ?
B5 B1 Co1 65.2(5) . . ?
C2 B1 H1 125.4 . . ?
B6 B1 H1 121.4 . . ?
B7 B1 H1 119.5 . . ?
B5 B1 H1 122.9 . . ?
Co1 B1 H1 111.0 . . ?
C3A C2A C1A 121.3(8) . . ?
C3A C2A H2A 119.3 . . ?
C1A C2A H2A 119.3 . . ?
C3B C2B C1B 121.1(8) . . ?
C3B C2B H2B 119.4 . . ?
C1B C2B H2B 119.5 . . ?
C3 C2 B1 111.8(7) . . ?
C3 C2 B7 111.3(7) . . ?
B1 C2 B7 63.6(6) . . ?
C3 C2 B8 62.7(6) . . ?
B1 C2 B8 114.8(7) . . ?
B7 C2 B8 61.2(6) . . ?
C3 C2 Co1 67.1(5) . . ?
B1 C2 Co1 67.1(5) . . ?
B7 C2 Co1 125.2(6) . . ?
B8 C2 Co1 125.8(6) . . ?
C3 C2 H2 120.9 . . ?
B1 C2 H2 118.8 . . ?
B7 C2 H2 117.0 . . ?
B8 C2 H2 115.6 . . ?
Co1 C2 H2 106.6 . . ?
N1D C2D C3D 179.1(12) . . ?
C2A C3A C4A 121.7(8) . . ?
C2A C3A O3A 118.6(7) . . ?
C4A C3A O3A 119.5(7) . . ?
C2B C3B C4B 121.4(8) . . ?
C2B C3B O3B 119.5(8) . . ?
C4B C3B O3B 118.8(8) . . ?
C2 C3 B9 111.6(8) . . ?
C2 C3 B4 112.2(8) . . ?
B9 C3 B4 63.7(6) . . ?
C2 C3 B8 62.0(6) . . ?
B9 C3 B8 62.0(6) . . ?
B4 C3 B8 115.4(8) . . ?
C2 C3 Co1 67.2(4) . . ?
B9 C3 Co1 125.1(7) . . ?
B4 C3 Co1 67.0(5) . . ?
B8 C3 Co1 125.3(7) . . ?
C2 C3 H3 121.0 . . ?
B9 C3 H3 116.6 . . ?
B4 C3 H3 118.4 . . ?
B8 C3 H3 115.6 . . ?
Co1 C3 H3 106.9 . . ?
C2D C3D H3D1 109.5 . . ?
C2D C3D H3D2 109.5 . . ?
H3D1 C3D H3D2 109.5 . . ?
C2D C3D H3D3 109.5 . . ?
H3D1 C3D H3D3 109.5 . . ?
H3D2 C3D H3D3 109.5 . . ?
C3A C4A O4A 117.3(8) . . ?
C3A C4A C5A 118.2(8) . . ?
O4A C4A C5A 124.4(8) . . ?
C5B C4B O4B 126.4(8) . . ?
C5B C4B C3B 117.9(8) . . ?
O4B C4B C3B 115.7(8) . . ?
C3 B4 B10 103.2(8) . . ?
C3 B4 B5 105.8(8) . . ?
B10 B4 B5 59.9(7) . . ?
C3 B4 B9 57.9(6) . . ?
B10 B4 B9 59.2(7) . . ?
B5 B4 B9 108.3(8) . . ?
C3 B4 Co1 64.7(5) . . ?
B10 B4 Co1 118.1(8) . . ?
B5 B4 Co1 66.1(5) . . ?
B9 B4 Co1 117.9(7) . . ?
C3 B4 H4 125.7 . . ?
B10 B4 H4 121.7 . . ?
B5 B4 H4 121.9 . . ?
B9 B4 H4 120.3 . . ?
Co1 B4 H4 111.0 . . ?
C4A C5A C6A 120.9(8) . . ?
C4A C5A H5A 119.5 . . ?
C6A C5A H5A 119.5 . . ?
C4B C5B C6B 122.1(8) . . ?
C4B C5B H5B 118.9 . . ?
C6B C5B H5B 118.9 . . ?
B10 B5 B4 59.3(7) . . ?
B10 B5 B6 59.6(7) . . ?
B4 B5 B6 106.3(8) . . ?
B10 B5 B1 105.3(8) . . ?
B4 B5 B1 105.1(8) . . ?
B6 B5 B1 58.5(7) . . ?
B10 B5 Co1 115.9(7) . . ?
B4 B5 Co1 64.1(5) . . ?
B6 B5 Co1 115.1(7) . . ?
B1 B5 Co1 63.3(5) . . ?
B10 B5 H5 121.0 . . ?
B4 B5 H5 123.4 . . ?
B6 B5 H5 121.2 . . ?
B1 B5 H5 124.6 . . ?
Co1 B5 H5 113.7 . . ?
N4D C5D C6D 169(2) . . ?
C1A C6A C5A 120.1(8) . . ?
C1A C6A C7A 123.0(7) . . ?
C5A C6A C7A 116.8(7) . . ?
C1B C6B C5B 119.6(8) . . ?
C1B C6B C7B 122.7(8) . . ?
C5B C6B C7B 117.7(8) . . ?
B11 B6 B10 60.1(7) . . ?
B11 B6 B1 108.8(8) . . ?
B10 B6 B1 107.6(8) . . ?
B11 B6 B7 60.0(6) . . ?
B10 B6 B7 107.6(9) . . ?
B1 B6 B7 60.7(6) . . ?
B11 B6 B5 109.4(9) . . ?
B10 B6 B5 59.2(7) . . ?
B1 B6 B5 61.9(6) . . ?
B7 B6 B5 110.7(8) . . ?
B11 B6 H6 121.3 . . ?
B10 B6 H6 122.8 . . ?
B1 B6 H6 121.0 . . ?
B7 B6 H6 121.0 . . ?
B5 B6 H6 120.1 . . ?
C5D C6D H6D1 109.5 . . ?
C5D C6D H6D2 109.5 . . ?
H6D1 C6D H6D2 109.5 . . ?
C5D C6D H6D3 109.5 . . ?
H6D1 C6D H6D3 109.5 . . ?
H6D2 C6D H6D3 109.5 . . ?
C6A C7A C8A 111.7(6) . . ?
C6A C7A H7A1 109.3 . . ?
C8A C7A H7A1 109.3 . . ?
C6A C7A H7A2 109.3 . . ?
C8A C7A H7A2 109.3 . . ?
H7A1 C7A H7A2 107.9 . . ?
C6B C7B C8B 111.0(7) . . ?
C6B C7B H7B1 109.4 . . ?
C8B C7B H7B1 109.4 . . ?
C6B C7B H7B2 109.4 . . ?
C8B C7B H7B2 109.4 . . ?
H7B1 C7B H7B2 108.0 . . ?
C2 B7 B8 59.6(6) . . ?
C2 B7 B11 104.6(8) . . ?
B8 B7 B11 60.5(7) . . ?
C2 B7 B6 103.0(7) . . ?
B8 B7 B6 107.9(9) . . ?
B11 B7 B6 59.3(7) . . ?
C2 B7 B1 57.6(6) . . ?
B8 B7 B1 108.4(8) . . ?
B11 B7 B1 107.4(8) . . ?
B6 B7 B1 59.6(6) . . ?
C2 B7 H7 125.4 . . ?
B8 B7 H7 120.6 . . ?
B11 B7 H7 122.5 . . ?
B6 B7 H7 123.3 . . ?
B1 B7 H7 121.9 . . ?
C9A C8A C13A 118.8(7) . . ?
C9A C8A C7A 116.8(7) . . ?
C13A C8A C7A 124.4(7) . . ?
C13B C8B C9B 117.7(7) . . ?
C13B C8B C7B 124.0(8) . . ?
C9B C8B C7B 118.2(8) . . ?
C2 B8 C3 55.3(5) . . ?
C2 B8 B7 59.1(6) . . ?
C3 B8 B7 103.7(8) . . ?
C2 B8 B9 102.9(8) . . ?
C3 B8 B9 57.9(6) . . ?
B7 B8 B9 108.3(9) . . ?
C2 B8 B11 104.0(8) . . ?
C3 B8 B11 103.5(8) . . ?
B7 B8 B11 60.2(7) . . ?
B9 B8 B11 60.2(7) . . ?
C2 B8 H8 125.6 . . ?
C3 B8 H8 125.9 . . ?
B7 B8 H8 121.7 . . ?
B9 B8 H8 122.5 . . ?
B11 B8 H8 123.1 . . ?
N7D C8D C9D 179(2) . . ?
C10A C9A C8A 121.1(7) . . ?
C10A C9A H9A 119.4 . . ?
C8A C9A H9A 119.4 . . ?
C10B C9B C8B 120.6(8) . . ?
C10B C9B H9B 119.7 . . ?
C8B C9B H9B 119.7 . . ?
C3 B9 B10 103.5(8) . . ?
C3 B9 B8 60.1(6) . . ?
B10 B9 B8 108.2(9) . . ?
C3 B9 B11 104.9(8) . . ?
B10 B9 B11 60.1(7) . . ?
B8 B9 B11 60.0(7) . . ?
C3 B9 B4 58.3(6) . . ?
B10 B9 B4 59.3(7) . . ?
B8 B9 B4 109.3(8) . . ?
B11 B9 B4 108.0(9) . . ?
C3 B9 H9 124.9 . . ?
B10 B9 H9 123.1 . . ?
B8 B9 H9 120.4 . . ?
B11 B9 H9 122.3 . . ?
B4 B9 H9 121.4 . . ?
C8D C9D H9D1 109.5 . . ?
C8D C9D H9D2 109.5 . . ?
H9D1 C9D H9D2 109.5 . . ?
C8D C9D H9D3 109.5 . . ?
H9D1 C9D H9D3 109.5 . . ?
H9D2 C9D H9D3 109.5 . . ?
C9A C10A C11A 120.6(7) . . ?
C9A C10A O10A 119.2(7) . . ?
C11A C10A O10A 120.2(7) . . ?
C9B C10B C11B 122.4(8) . . ?
C9B C10B O10B 119.2(8) . . ?
C11B C10B O10B 117.8(8) . . ?
B9 B10 B4 61.5(7) . . ?
B9 B10 B5 110.9(8) . . ?
B4 B10 B5 60.8(6) . . ?
B9 B10 B11 60.5(7) . . ?
B4 B10 B11 110.1(8) . . ?
B5 B10 B11 110.5(9) . . ?
B9 B10 B6 108.0(8) . . ?
B4 B10 B6 108.8(8) . . ?
B5 B10 B6 61.2(7) . . ?
B11 B10 B6 59.4(7) . . ?
B9 B10 H10 120.7 . . ?
B4 B10 H10 120.5 . . ?
B5 B10 H10 119.6 . . ?
B11 B10 H10 120.7 . . ?
B6 B10 H10 122.1 . . ?
O11A C11A C12A 125.9(7) . . ?
O11A C11A C10A 115.9(7) . . ?
C12A C11A C10A 118.1(7) . . ?
C12B C11B O11B 126.9(8) . . ?
C12B C11B C10B 117.2(8) . . ?
O11B C11B C10B 115.9(8) . . ?
B6 B11 B7 60.8(7) . . ?
B6 B11 B10 60.5(7) . . ?
B7 B11 B10 108.5(8) . . ?
B6 B11 B8 108.2(8) . . ?
B7 B11 B8 59.4(6) . . ?
B10 B11 B8 107.6(8) . . ?
B6 B11 B9 107.9(8) . . ?
B7 B11 B9 107.3(8) . . ?
B10 B11 B9 59.4(7) . . ?
B8 B11 B9 59.8(7) . . ?
B6 B11 H11 121.2 . . ?
B7 B11 H11 121.7 . . ?
B10 B11 H11 121.7 . . ?
B8 B11 H11 122.1 . . ?
B9 B11 H11 122.3 . . ?
N10D C11D C12D 179.4(17) . . ?
C11A C12A C13A 122.3(7) . . ?
C11A C12A H12A 118.9 . . ?
C13A C12A H12A 118.9 . . ?
C11B C12B C13B 122.1(8) . . ?
C11B C12B H12B 118.9 . . ?
C13B C12B H12B 118.9 . . ?
B13 B12 B18 60.2(9) . . ?
B13 B12 B16 106.8(9) . . ?
B18 B12 B16 106.4(10) . . ?
B13 B12 B19 107.2(10) . . ?
B18 B12 B19 59.2(9) . . ?
B16 B12 B19 59.2(10) . . ?
B13 B12 Co1 64.8(6) . . ?
B18 B12 Co1 117.3(9) . . ?
B16 B12 Co1 63.7(6) . . ?
B19 B12 Co1 116.1(10) . . ?
B13 B12 H12 122.4 . . ?
B18 B12 H12 120.5 . . ?
B16 B12 H12 123.6 . . ?
B19 B12 H12 121.0 . . ?
Co1 B12 H12 112.8 . . ?
C11D C12D H12C 109.5 . . ?
C11D C12D H12D 109.5 . . ?
H12C C12D H12D 109.5 . . ?
C11D C12D H12E 109.5 . . ?
H12C C12D H12E 109.5 . . ?
H12D C12D H12E 109.5 . . ?
C12A C13A C8A 119.1(7) . . ?
C12A C13A C14A 116.9(7) . . ?
C8A C13A C14A 123.9(7) . . ?
C8B C13B C12B 119.9(8) . . ?
C8B C13B C14B 122.6(7) . . ?
C12B C13B C14B 117.4(7) . . ?
C14 B13 B12 106.0(10) . . ?
C14 B13 B18 103.6(9) . . ?
B12 B13 B18 60.8(9) . . ?
C14 B13 B17 57.6(6) . . ?
B12 B13 B17 108.3(10) . . ?
B18 B13 B17 59.1(7) . . ?
C14 B13 Co1 64.4(5) . . ?
B12 B13 Co1 66.1(6) . . ?
B18 B13 Co1 118.9(10) . . ?
B17 B13 Co1 117.1(7) . . ?
C14 B13 H13 125.8 . . ?
B12 B13 H13 121.5 . . ?
B18 B13 H13 120.9 . . ?
B17 B13 H13 120.9 . . ?
Co1 B13 H13 111.1 . . ?
C15A C14A C13A 110.7(6) . . ?
C15A C14A H14A 109.5 . . ?
C13A C14A H14A 109.5 . . ?
C15A C14A H14B 109.5 . . ?
C13A C14A H14B 109.5 . . ?
H14A C14A H14B 108.1 . . ?
C13B C14B C15B 114.4(7) . . ?
C13B C14B H14C 108.7 . . ?
C15B C14B H14C 108.7 . . ?
C13B C14B H14D 108.7 . . ?
C15B C14B H14D 108.7 . . ?
H14C C14B H14D 107.6 . . ?
C15 C14 B17 111.0(8) . . ?
C15 C14 B22 61.5(6) . . ?
B17 C14 B22 61.8(7) . . ?
C15 C14 B13 110.5(8) . . ?
B17 C14 B13 63.6(6) . . ?
B22 C14 B13 114.0(8) . . ?
C15 C14 Co1 66.5(4) . . ?
B17 C14 Co1 123.8(6) . . ?
B22 C14 Co1 123.6(7) . . ?
B13 C14 Co1 65.9(5) . . ?
C15 C14 H14 121.6 . . ?
B17 C14 H14 116.8 . . ?
B22 C14 H14 116.4 . . ?
B13 C14 H14 119.5 . . ?
Co1 C14 H14 108.3 . . ?
N13D C14D C15D 177.9(12) . . ?
C20A C15A C16A 118.3(7) . . ?
C20A C15A C14A 125.1(7) . . ?
C16A C15A C14A 116.5(7) . . ?
C20B C15B C16B 118.2(8) . . ?
C20B C15B C14B 124.3(7) . . ?
C16B C15B C14B 117.5(7) . . ?
C14 C15 B20 110.9(9) . . ?
C14 C15 B22 62.5(7) . . ?
B20 C15 B22 60.5(8) . . ?
C14 C15 B16 111.2(9) . . ?
B20 C15 B16 63.4(8) . . ?
B22 C15 B16 113.4(9) . . ?
C14 C15 Co1 67.4(5) . . ?
B20 C15 Co1 124.3(8) . . ?
B22 C15 Co1 125.4(7) . . ?
B16 C15 Co1 66.3(6) . . ?
C14 C15 H15 120.7 . . ?
B20 C15 H15 117.5 . . ?
B22 C15 H15 116.3 . . ?
B16 C15 H15 119.7 . . ?
Co1 C15 H15 107.0 . . ?
C14D C15D H15A 109.5 . . ?
C14D C15D H15B 109.5 . . ?
H15A C15D H15B 109.5 . . ?
C14D C15D H15C 109.5 . . ?
H15A C15D H15C 109.5 . . ?
H15B C15D H15C 109.5 . . ?
C17A C16A C15A 118.8(8) . . ?
C17A C16A H16A 120.6 . . ?
C15A C16A H16A 120.6 . . ?
C17B C16B C15B 120.8(8) . . ?
C17B C16B H16B 119.6 . . ?
C15B C16B H16B 119.6 . . ?
C15 B16 B19 104.3(9) . . ?
C15 B16 B12 105.5(10) . . ?
B19 B16 B12 61.0(10) . . ?
C15 B16 B20 57.7(8) . . ?
B19 B16 B20 59.9(9) . . ?
B12 B16 B20 108.7(11) . . ?
C15 B16 Co1 64.5(5) . . ?
B19 B16 Co1 119.4(11) . . ?
B12 B16 Co1 65.6(7) . . ?
B20 B16 Co1 117.6(9) . . ?
C15 B16 H16 125.8 . . ?
B19 B16 H16 120.2 . . ?
B12 B16 H16 121.9 . . ?
B20 B16 H16 120.3 . . ?
Co1 B16 H16 111.0 . . ?
C16A C17A C18A 124.0(8) . . ?
C16A C17A O17A 118.5(7) . . ?
C18A C17A O17A 117.5(7) . . ?
C16B C17B C18B 121.5(8) . . ?
C16B C17B O17B 117.8(8) . . ?
C18B C17B O17B 120.3(8) . . ?
C14 B17 B23 105.5(10) . . ?
C14 B17 B22 59.1(6) . . ?
B23 B17 B22 60.1(8) . . ?
C14 B17 B18 104.3(8) . . ?
B23 B17 B18 60.6(9) . . ?
B22 B17 B18 108.1(11) . . ?
C14 B17 B13 58.8(6) . . ?
B23 B17 B13 107.7(9) . . ?
B22 B17 B13 108.0(8) . . ?
B18 B17 B13 58.7(7) . . ?
C14 B17 H17 124.4 . . ?
B23 B17 H17 121.9 . . ?
B22 B17 H17 121.2 . . ?
B18 B17 H17 122.8 . . ?
B13 B17 H17 122.0 . . ?
N16D C17D C18D 175.0(14) . . ?
O18A C18A C17A 116.8(7) . . ?
O18A C18A C19A 126.9(7) . . ?
C17A C18A C19A 116.3(8) . . ?
O18B C18B C17B 117.0(8) . . ?
O18B C18B C19B 125.2(8) . . ?
C17B C18B C19B 117.8(8) . . ?
B13 B18 B17 62.2(7) . . ?
B13 B18 B19 108.1(11) . . ?
B17 B18 B19 107.2(12) . . ?
B13 B18 B12 59.1(8) . . ?
B17 B18 B12 109.4(9) . . ?
B19 B18 B12 61.5(10) . . ?
B13 B18 B23 109.5(10) . . ?
B17 B18 B23 59.3(8) . . ?
B19 B18 B23 59.6(10) . . ?
B12 B18 B23 109.8(13) . . ?
B13 B18 H18 121.0 . . ?
B17 B18 H18 121.4 . . ?
B19 B18 H18 122.1 . . ?
B12 B18 H18 120.6 . . ?
B23 B18 H18 121.2 . . ?
C17D C18D H18A 109.5 . . ?
C17D C18D H18B 109.5 . . ?
H18A C18D H18B 109.5 . . ?
C17D C18D H18C 109.5 . . ?
H18A C18D H18C 109.5 . . ?
H18B C18D H18C 109.5 . . ?
C20A C19A C18A 122.0(8) . . ?
C20A C19A H19A 119.0 . . ?
C18A C19A H19A 119.0 . . ?
C18B C19B C20B 121.5(8) . . ?
C18B C19B H19B 119.3 . . ?
C20B C19B H19B 119.3 . . ?
B23 B19 B18 60.4(10) . . ?
B23 B19 B16 108.8(11) . . ?
B18 B19 B16 106.9(11) . . ?
B23 B19 B20 60.1(9) . . ?
B18 B19 B20 107.5(12) . . ?
B16 B19 B20 60.5(10) . . ?
B23 B19 B12 108.7(13) . . ?
B18 B19 B12 59.3(10) . . ?
B16 B19 B12 59.8(8) . . ?
B20 B19 B12 108.3(11) . . ?
B23 B19 H19 120.9 . . ?
B18 B19 H19 122.5 . . ?
B16 B19 H19 121.7 . . ?
B20 B19 H19 121.6 . . ?
B12 B19 H19 121.7 . . ?
C19A C20A C15A 120.6(7) . . ?
C19A C20A C21A 117.5(7) . . ?
C15A C20A C21A 121.8(7) . . ?
C15B C20B C19B 120.1(8) . . ?
C15B C20B C21B 123.1(8) . . ?
C19B C20B C21B 116.8(7) . . ?
C15 B20 B22 60.0(8) . . ?
C15 B20 B23 105.9(11) . . ?
B22 B20 B23 60.7(9) . . ?
C15 B20 B19 105.0(9) . . ?
B22 B20 B19 108.6(13) . . ?
B23 B20 B19 59.4(10) . . ?
C15 B20 B16 58.8(7) . . ?
B22 B20 B16 109.1(10) . . ?
B23 B20 B16 107.5(12) . . ?
B19 B20 B16 59.6(9) . . ?
C15 B20 H20 123.9 . . ?
B22 B20 H20 120.3 . . ?
B23 B20 H20 122.3 . . ?
B19 B20 H20 122.7 . . ?
B16 B20 H20 121.6 . . ?
N19D C20D C21D 156(3) . . ?
C1A C21A C20A 115.7(6) . . ?
C1A C21A H21A 108.3 . . ?
C20A C21A H21A 108.3 . . ?
C1A C21A H21B 108.3 . . ?
C20A C21A H21B 108.3 . . ?
H21A C21A H21B 107.4 . . ?
C1B C21B C20B 111.4(7) . . ?
C1B C21B H21C 109.3 . . ?
C20B C21B H21C 109.3 . . ?
C1B C21B H21D 109.3 . . ?
C20B C21B H21D 109.3 . . ?
H21C C21B H21D 108.0 . . ?
C20D C21D H21E 109.5 . . ?
C20D C21D H21F 109.5 . . ?
H21E C21D H21F 109.5 . . ?
C20D C21D H21G 109.5 . . ?
H21E C21D H21G 109.5 . . ?
H21F C21D H21G 109.5 . . ?
C15 B22 B20 59.5(7) . . ?
C15 B22 C14 55.9(5) . . ?
B20 B22 C14 104.8(8) . . ?
C15 B22 B23 106.0(9) . . ?
B20 B22 B23 61.3(10) . . ?
C14 B22 B23 105.0(8) . . ?
C15 B22 B17 104.3(8) . . ?
B20 B22 B17 108.7(10) . . ?
C14 B22 B17 59.0(6) . . ?
B23 B22 B17 59.6(8) . . ?
C15 B22 H22 124.6 . . ?
B20 B22 H22 121.2 . . ?
C14 B22 H22 124.9 . . ?
B23 B22 H22 122.2 . . ?
B17 B22 H22 122.2 . . ?
B17 B23 B19 108.2(10) . . ?
B17 B23 B22 60.3(8) . . ?
B19 B23 B22 107.3(11) . . ?
B17 B23 B20 106.5(10) . . ?
B19 B23 B20 60.5(11) . . ?
B22 B23 B20 57.9(9) . . ?
B17 B23 B18 60.1(9) . . ?
B19 B23 B18 60.1(10) . . ?
B22 B23 B18 107.8(10) . . ?
B20 B23 B18 107.6(10) . . ?
B17 B23 H23 121.8 . . ?
B19 B23 H23 121.4 . . ?
B22 B23 H23 122.5 . . ?
B20 B23 H23 122.8 . . ?
B18 B23 H23 121.6 . . ?
N22D C23D C24D 178.5(14) . . ?
C23D C24D H24A 109.5 . . ?
C23D C24D H24B 109.5 . . ?
H24A C24D H24B 109.5 . . ?
C23D C24D H24C 109.5 . . ?
H24A C24D H24C 109.5 . . ?
H24B C24D H24C 109.5 . . ?
N25D C26D C27D 177.2(13) . . ?
C26D C27D H27A 109.5 . . ?
C26D C27D H27B 109.5 . . ?
H27A C27D H27B 109.5 . . ?
C26D C27D H27C 109.5 . . ?
H27A C27D H27C 109.5 . . ?
H27B C27D H27C 109.5 . . ?
N31A C32A C33A 124.0(9) . . ?
N31A C32A H32A 118.0 . . ?
C33A C32A H32A 118.0 . . ?
N31B C32B C33B 123.7(9) . . ?
N31B C32B H32B 118.2 . . ?
C33B C32B H32B 118.2 . . ?
C32A C33A C34A 118.6(8) . . ?
C32A C33A H33A 120.7 . . ?
C34A C33A H33A 120.7 . . ?
C34B C33B C32B 119.7(9) . . ?
C34B C33B H33B 120.2 . . ?
C32B C33B H33B 120.2 . . ?
C35A C34A C33A 117.8(8) . . ?
C35A C34A C37A 123.0(8) . . ?
C33A C34A C37A 119.2(8) . . ?
C33B C34B C35B 117.6(8) . . ?
C33B C34B C37B 122.9(8) . . ?
C35B C34B C37B 119.4(8) . . ?
C34A C35A C36A 118.7(8) . . ?
C34A C35A H35A 120.6 . . ?
C36A C35A H35A 120.6 . . ?
C34B C35B C36B 119.2(9) . . ?
C34B C35B H35B 120.4 . . ?
C36B C35B H35B 120.4 . . ?
N31A C36A C35A 124.6(9) . . ?
N31A C36A H36A 117.7 . . ?
C35A C36A H36A 117.7 . . ?
N31B C36B C35B 124.5(9) . . ?
N31B C36B H36B 117.7 . . ?
C35B C36B H36B 117.7 . . ?
O38A C37A O3A 122.9(8) . . ?
O38A C37A C34A 123.6(8) . . ?
O3A C37A C34A 113.4(8) . . ?
O38B C37B O3B 124.1(8) . . ?
O38B C37B C34B 125.2(9) . . ?
O3B C37B C34B 110.6(8) . . ?
O4A C41A H41A 109.5 . . ?
O4A C41A H41B 109.5 . . ?
H41A C41A H41B 109.5 . . ?
O4A C41A H41C 109.5 . . ?
H41A C41A H41C 109.5 . . ?
H41B C41A H41C 109.5 . . ?
O4B C41B H41D 109.5 . . ?
O4B C41B H41E 109.5 . . ?
H41D C41B H41E 109.5 . . ?
O4B C41B H41F 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
N51A C52A C53A 122.5(8) . . ?
N51A C52A H52A 118.8 . . ?
C53A C52A H52A 118.8 . . ?
N51B C52B C53B 116.9(11) . . ?
N51B C52B H52B 121.5 . . ?
C53B C52B H52B 121.5 . . ?
C54A C53A C52A 120.6(8) . . ?
C54A C53A H53A 119.7 . . ?
C52A C53A H53A 119.7 . . ?
C54B C53B C52B 113.4(10) . . ?
C54B C53B H53B 123.3 . . ?
C52B C53B H53B 123.3 . . ?
C53A C54A C55A 117.0(8) . . ?
C53A C54A C57A 124.5(8) . . ?
C55A C54A C57A 118.4(8) . . ?
C55B C54B C53B 128.8(13) . . ?
C55B C54B C57B 124.4(12) . . ?
C53B C54B C57B 106.8(11) . . ?
C56A C55A C54A 119.5(8) . . ?
C56A C55A H55A 120.2 . . ?
C54A C55A H55A 120.2 . . ?
C54B C55B C56B 112.0(13) . . ?
C54B C55B H55B 124.0 . . ?
C56B C55B H55B 124.0 . . ?
N51A C56A C55A 123.6(8) . . ?
N51A C56A H56A 118.2 . . ?
C55A C56A H56A 118.2 . . ?
N51B C56B C55B 131.1(13) . . ?
N51B C56B H56B 114.5 . . ?
C55B C56B H56B 114.5 . . ?
O58A C57A O10A 124.0(7) . . ?
O58A C57A C54A 123.6(8) . . ?
O10A C57A C54A 112.3(8) . . ?
O10B C57B O58B 134.4(18) . . ?
O10B C57B C54B 114.0(11) . . ?
O58B C57B C54B 111.6(15) . . ?
O11A C61A H61A 109.5 . . ?
O11A C61A H61B 109.5 . . ?
H61A C61A H61B 109.5 . . ?
O11A C61A H61C 109.5 . . ?
H61A C61A H61C 109.5 . . ?
H61B C61A H61C 109.5 . . ?
O11B C61B H61D 109.5 . . ?
O11B C61B H61E 109.5 . . ?
H61D C61B H61E 109.5 . . ?
O11B C61B H61F 109.5 . . ?
H61D C61B H61F 109.5 . . ?
H61E C61B H61F 109.5 . . ?
N71A C72A C73A 122.6(8) . . ?
N71A C72A H72A 118.7 . . ?
C73A C72A H72A 118.7 . . ?
N71B C72B C73B 123.0(12) . . ?
N71B C72B H72B 118.5 . . ?
C73B C72B H72B 118.5 . . ?
C72A C73A C74A 119.2(8) . . ?
C72A C73A H73A 120.4 . . ?
C74A C73A H73A 120.4 . . ?
C74B C73B C72B 117.7(12) . . ?
C74B C73B H73B 121.2 . . ?
C72B C73B H73B 121.2 . . ?
C73A C74A C75A 118.8(8) . . ?
C73A C74A C77A 123.4(8) . . ?
C75A C74A C77A 117.8(8) . . ?
C73B C74B C75B 119.7(10) . . ?
C73B C74B C77B 117.5(11) . . ?
C75B C74B C77B 122.8(11) . . ?
C74A C75A C76A 118.3(8) . . ?
C74A C75A H75A 120.9 . . ?
C76A C75A H75A 120.9 . . ?
C76B C75B C74B 119.1(11) . . ?
C76B C75B H75B 120.5 . . ?
C74B C75B H75B 120.5 . . ?
N71A C76A C75A 123.1(9) . . ?
N71A C76A H76A 118.4 . . ?
C75A C76A H76A 118.4 . . ?
N71B C76B C75B 123.3(12) . . ?
N71B C76B H76B 118.4 . . ?
C75B C76B H76B 118.4 . . ?
O78A C77A O17A 125.8(8) . . ?
O78A C77A C74A 123.6(8) . . ?
O17A C77A C74A 110.6(8) . . ?
O78B C77B O17B 124.0(9) . . ?
O78B C77B C74B 124.0(12) . . ?
O17B C77B C74B 112.0(10) . . ?
O18A C81A H81A 109.5 . . ?
O18A C81A H81B 109.5 . . ?
H81A C81A H81B 109.5 . . ?
O18A C81A H81C 109.5 . . ?
H81A C81A H81C 109.5 . . ?
H81B C81A H81C 109.5 . . ?
O18B C81B H81D 109.5 . . ?
O18B C81B H81E 109.5 . . ?
H81D C81B H81E 109.5 . . ?
O18B C81B H81F 109.5 . . ?
H81D C81B H81F 109.5 . . ?
H81E C81B H81F 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 N51A 2.233(7) . ?
Ag1 N31B 2.234(7) . ?
Ag1 N51B 2.438(8) 2_566 ?
Ag1 N71A 2.448(7) 2_565 ?
Co1 C15 2.042(9) . ?
Co1 C3 2.051(9) . ?
Co1 C2 2.053(9) . ?
Co1 C14 2.057(8) . ?
Co1 B16 2.071(13) . ?
Co1 B13 2.083(12) . ?
Co1 B1 2.089(11) . ?
Co1 B4 2.089(11) . ?
Co1 B12 2.104(13) . ?
Co1 B5 2.123(11) . ?
O3A C37A 1.344(10) . ?
O3A C3A 1.412(9) . ?
O3B C37B 1.351(10) . ?
O3B C3B 1.418(10) . ?
O4A C4A 1.379(10) . ?
O4A C41A 1.425(11) . ?
O4B C4B 1.371(10) . ?
O4B C41B 1.431(10) . ?
O10A C57A 1.343(10) . ?
O10A C10A 1.405(9) . ?
O10B C57B 1.140(17) . ?
O10B C10B 1.482(13) . ?
O11A C11A 1.367(9) . ?
O11A C61A 1.423(9) . ?
O11B C11B 1.370(10) . ?
O11B C61B 1.426(11) . ?
O17A C77A 1.358(10) . ?
O17A C17A 1.435(9) . ?
O17B C77B 1.343(13) . ?
O17B C17B 1.397(10) . ?
O18A C18A 1.351(9) . ?
O18A C81A 1.421(10) . ?
O18B C18B 1.366(10) . ?
O18B C81B 1.433(11) . ?
O38A C37A 1.216(10) . ?
O38B C37B 1.208(10) . ?
O58A C57A 1.212(10) . ?
O58B C57B 1.281(13) . ?
O78A C77A 1.189(10) . ?
O78B C77B 1.219(12) . ?
N1D C2D 1.138(13) . ?
N4D C5D 1.18(2) . ?
N7D C8D 1.21(2) . ?
N10D C11D 1.17(2) . ?
N13D C14D 1.157(14) . ?
N16D C17D 1.119(15) . ?
N19D C20D 1.19(3) . ?
N22D C23D 1.147(14) . ?
N25D C26D 1.182(15) . ?
N31A C32A 1.334(11) . ?
N31A C36A 1.337(11) . ?
N31B C36B 1.334(11) . ?
N31B C32B 1.348(12) . ?
N51A C56A 1.331(11) . ?
N51A C52A 1.349(11) . ?
N51B C56B 1.302(14) . ?
N51B C52B 1.326(13) . ?
N51B Ag1 2.438(8) 2_566 ?
N71A C76A 1.324(11) . ?
N71A C72A 1.355(11) . ?
N71A Ag1 2.448(7) 2_565 ?
N71B C72B 1.341(15) . ?
N71B C76B 1.344(14) . ?
C1A C6A 1.390(11) . ?
C1A C2A 1.404(11) . ?
C1A C21A 1.523(10) . ?
C1B C2B 1.396(11) . ?
C1B C6B 1.397(11) . ?
C1B C21B 1.518(12) . ?
B1 C2 1.687(13) . ?
B1 B6 1.770(16) . ?
B1 B7 1.789(15) . ?
B1 B5 1.831(17) . ?
B1 H1 1.1200 . ?
C2A C3A 1.362(11) . ?
C2A H2A 0.9500 . ?
C2B C3B 1.381(12) . ?
C2B H2B 0.9500 . ?
C2 C3 1.596(13) . ?
C2 B7 1.707(14) . ?
C2 B8 1.715(14) . ?
C2 H2 1.1200 . ?
C2D C3D 1.395(15) . ?
C3A C4A 1.369(11) . ?
C3B C4B 1.386(12) . ?
C3 B9 1.687(14) . ?
C3 B4 1.695(15) . ?
C3 B8 1.726(15) . ?
C3 H3 1.1200 . ?
C3D H3D1 0.9800 . ?
C3D H3D2 0.9800 . ?
C3D H3D3 0.9800 . ?
C4A C5A 1.392(11) . ?
C4B C5B 1.370(11) . ?
B4 B10 1.747(16) . ?
B4 B5 1.774(18) . ?
B4 B9 1.786(16) . ?
B4 H4 1.1200 . ?
C5A C6A 1.399(11) . ?
C5A H5A 0.9500 . ?
C5B C6B 1.406(12) . ?
C5B H5B 0.9500 . ?
B5 B10 1.757(17) . ?
B5 B6 1.793(16) . ?
B5 H5 1.1200 . ?
C5D C6D 1.39(2) . ?
C6A C7A 1.515(11) . ?
C6B C7B 1.520(11) . ?
B6 B11 1.746(18) . ?
B6 B10 1.76(2) . ?
B6 B7 1.772(16) . ?
B6 H6 1.1200 . ?
C6D H6D1 0.9800 . ?
C6D H6D2 0.9800 . ?
C6D H6D3 0.9800 . ?
C7A C8A 1.532(11) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
C7B C8B 1.523(11) . ?
C7B H7B1 0.9900 . ?
C7B H7B2 0.9900 . ?
B7 B8 1.743(17) . ?
B7 B11 1.758(17) . ?
B7 H7 1.1200 . ?
C8A C9A 1.400(11) . ?
C8A C13A 1.403(11) . ?
C8B C13B 1.395(11) . ?
C8B C9B 1.410(12) . ?
B8 B9 1.759(18) . ?
B8 B11 1.762(16) . ?
B8 H8 1.1200 . ?
C8D C9D 1.37(2) . ?
C9A C10A 1.385(11) . ?
C9A H9A 0.9500 . ?
C9B C10B 1.365(12) . ?
C9B H9B 0.9500 . ?
B9 B10 1.746(18) . ?
B9 B11 1.766(18) . ?
B9 H9 1.1200 . ?
C9D H9D1 0.9800 . ?
C9D H9D2 0.9800 . ?
C9D H9D3 0.9800 . ?
C10A C11A 1.393(11) . ?
C10B C11B 1.393(12) . ?
B10 B11 1.758(16) . ?
B10 H10 1.1200 . ?
C11A C12A 1.391(11) . ?
C11B C12B 1.370(11) . ?
B11 H11 1.1200 . ?
C11D C12D 1.50(2) . ?
C12A C13A 1.391(10) . ?
C12A H12A 0.9500 . ?
C12B C13B 1.405(11) . ?
C12B H12B 0.9500 . ?
B12 B13 1.74(2) . ?
B12 B18 1.77(2) . ?
B12 B16 1.79(2) . ?
B12 B19 1.81(2) . ?
B12 H12 1.1200 . ?
C12D H12C 0.9800 . ?
C12D H12D 0.9800 . ?
C12D H12E 0.9800 . ?
C13A C14A 1.520(11) . ?
C13B C14B 1.524(11) . ?
B13 C14 1.740(14) . ?
B13 B18 1.76(2) . ?
B13 B17 1.821(15) . ?
B13 H13 1.1200 . ?
C14A C15A 1.510(11) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C14B C15B 1.534(12) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C14 C15 1.605(13) . ?
C14 B17 1.717(13) . ?
C14 B22 1.719(15) . ?
C14 H14 1.1200 . ?
C14D C15D 1.478(17) . ?
C15A C20A 1.408(11) . ?
C15A C16A 1.414(11) . ?
C15B C20B 1.379(11) . ?
C15B C16B 1.413(11) . ?
C15 B20 1.694(18) . ?
C15 B22 1.703(14) . ?
C15 B16 1.714(18) . ?
C15 H15 1.1200 . ?
C15D H15A 0.9800 . ?
C15D H15B 0.9800 . ?
C15D H15C 0.9800 . ?
C16A C17A 1.382(11) . ?
C16A H16A 0.9500 . ?
C16B C17B 1.375(12) . ?
C16B H16B 0.9500 . ?
B16 B19 1.78(2) . ?
B16 B20 1.792(18) . ?
B16 H16 1.1200 . ?
C17A C18A 1.390(11) . ?
C17B C18B 1.381(12) . ?
B17 B23 1.75(2) . ?
B17 B22 1.765(18) . ?
B17 B18 1.767(19) . ?
B17 H17 1.1200 . ?
C17D C18D 1.520(19) . ?
C18A C19A 1.398(11) . ?
C18B C19B 1.391(12) . ?
B18 B19 1.77(3) . ?
B18 B23 1.77(2) . ?
B18 H18 1.1200 . ?
C18D H18A 0.9800 . ?
C18D H18B 0.9800 . ?
C18D H18C 0.9800 . ?
C19A C20A 1.382(11) . ?
C19A H19A 0.9500 . ?
C19B C20B 1.404(12) . ?
C19B H19B 0.9500 . ?
B19 B23 1.76(2) . ?
B19 B20 1.78(3) . ?
B19 H19 1.1200 . ?
C20A C21A 1.532(10) . ?
C20B C21B 1.530(11) . ?
B20 B22 1.71(2) . ?
B20 B23 1.77(2) . ?
B20 H20 1.1200 . ?
C20D C21D 1.36(2) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C21B H21C 0.9900 . ?
C21B H21D 0.9900 . ?
C21D H21E 0.9800 . ?
C21D H21F 0.9800 . ?
C21D H21G 0.9800 . ?
B22 B23 1.762(19) . ?
B22 H22 1.1200 . ?
B23 H23 1.1200 . ?
C23D C24D 1.441(17) . ?
C24D H24A 0.9800 . ?
C24D H24B 0.9800 . ?
C24D H24C 0.9800 . ?
C26D C27D 1.404(17) . ?
C27D H27A 0.9800 . ?
C27D H27B 0.9800 . ?
C27D H27C 0.9800 . ?
C32A C33A 1.388(12) . ?
C32A H32A 0.9500 . ?
C32B C33B 1.384(12) . ?
C32B H32B 0.9500 . ?
C33A C34A 1.401(12) . ?
C33A H33A 0.9500 . ?
C33B C34B 1.370(12) . ?
C33B H33B 0.9500 . ?
C34A C35A 1.381(11) . ?
C34A C37A 1.473(12) . ?
C34B C35B 1.375(12) . ?
C34B C37B 1.472(12) . ?
C35A C36A 1.383(12) . ?
C35A H35A 0.9500 . ?
C35B C36B 1.382(12) . ?
C35B H35B 0.9500 . ?
C36A H36A 0.9500 . ?
C36B H36B 0.9500 . ?
C41A H41A 0.9800 . ?
C41A H41B 0.9800 . ?
C41A H41C 0.9800 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C52A C53A 1.374(12) . ?
C52A H52A 0.9500 . ?
C52B C53B 1.550(16) . ?
C52B H52B 0.9500 . ?
C53A C54A 1.366(11) . ?
C53A H53A 0.9500 . ?
C53B C54B 1.359(15) . ?
C53B H53B 0.9500 . ?
C54A C55A 1.392(12) . ?
C54A C57A 1.479(11) . ?
C54B C55B 1.277(15) . ?
C54B C57B 1.69(2) . ?
C55A C56A 1.368(12) . ?
C55A H55A 0.9500 . ?
C55B C56B 1.348(16) . ?
C55B H55B 0.9500 . ?
C56A H56A 0.9500 . ?
C56B H56B 0.9500 . ?
C61A H61A 0.9800 . ?
C61A H61B 0.9800 . ?
C61A H61C 0.9800 . ?
C61B H61D 0.9800 . ?
C61B H61E 0.9800 . ?
C61B H61F 0.9800 . ?
C72A C73A 1.373(12) . ?
C72A H72A 0.9500 . ?
C72B C73B 1.398(15) . ?
C72B H72B 0.9500 . ?
C73A C74A 1.385(12) . ?
C73A H73A 0.9500 . ?
C73B C74B 1.374(15) . ?
C73B H73B 0.9500 . ?
C74A C75A 1.387(12) . ?
C74A C77A 1.503(12) . ?
C74B C75B 1.377(14) . ?
C74B C77B 1.509(14) . ?
C75A C76A 1.398(12) . ?
C75A H75A 0.9500 . ?
C75B C76B 1.361(13) . ?
C75B H75B 0.9500 . ?
C76A H76A 0.9500 . ?
C76B H76B 0.9500 . ?
C81A H81A 0.9800 . ?
C81A H81B 0.9800 . ?
C81A H81C 0.9800 . ?
C81B H81D 0.9800 . ?
C81B H81E 0.9800 . ?
C81B H81F 0.9800 . ?
