#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:44:48 +0100 (vie 25 de mar de 2016) $
#$Revision: 179762 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/58/7005873.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_7005873
loop_
_publ_author_name
'Sun, Qiaozhen'
'Wei, Meilin'
'Bai, Yan'
'He, Cheng'
'Meng, Qingjin'
'Duan, Chunying'
_publ_section_title
;
 Entanglement of individual coordination polymers having helicates as
 building intermediates.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4089
_journal_page_last               4094
_journal_paper_doi               10.1039/b706183h
_journal_year                    2007
_chemical_formula_sum            'C56 H55 Ag3 Cl3 N17 O11'
_chemical_formula_weight         1572.13
_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                104.7820(15)
_cell_angle_beta                 96.0280(18)
_cell_angle_gamma                100.117(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2236(9)
_cell_length_b                   16.9938(16)
_cell_length_c                   21.688(2)
_cell_measurement_reflns_used    6384
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.13
_cell_measurement_theta_min      2.45
_cell_volume                     3195.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  '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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16214
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.107
_exptl_absorpt_correction_T_max  0.7732
_exptl_absorpt_correction_T_min  0.6354
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.660
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     870
_refine_ls_number_reflns         11105
_refine_ls_number_restraints     403
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1090P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1614
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                8131
_reflns_number_total             11105
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b706183h.txt
_cod_data_source_block           sad
_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_sg_symbol_H-M      P-1
_cod_database_code               7005873
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 -0.20262(5) -0.61865(3) 0.04388(2) 0.06012(16) Uani 1 1 d . . .
Ag2 Ag -0.26088(5) 0.12522(3) 0.46346(2) 0.06254(16) Uani 1 1 d . . .
Ag3 Ag -0.68281(7) -0.22758(3) 0.22436(2) 0.0856(2) Uani 1 1 d . . 1
N1 N -0.8899(5) -0.7084(3) 0.15594(19) 0.0488(10) Uani 1 1 d . . 1
N2 N -0.7413(5) -0.6831(3) 0.14984(19) 0.0486(10) Uani 1 1 d . . 1
N3 N -0.2963(5) -0.6081(3) 0.1411(2) 0.0522(10) Uani 1 1 d . . 1
N4 N -0.4054(6) -0.5810(3) 0.2578(2) 0.0618(12) Uani 1 1 d . . 1
N5 N -0.9096(4) -0.6959(2) 0.00834(18) 0.0393(9) Uani 1 1 d . . 1
N6 N -0.9518(4) -0.6230(2) 0.04133(17) 0.0375(8) Uani 1 1 d . . 1
N7 N -1.0485(5) -0.4805(2) 0.0824(2) 0.0470(10) Uani 1 1 d . . 1
N8 N -0.8435(6) -0.3405(2) 0.1573(2) 0.0601(12) Uani 1 1 d . . 1
N9 N -0.4016(6) -0.6740(3) -0.0298(3) 0.0740(14) Uani 1 1 d U . 1
N10 N -0.5771(4) 0.1854(2) 0.48797(18) 0.0416(9) Uani 1 1 d . . 1
N11 N -0.5192(4) 0.1189(2) 0.45622(18) 0.0411(9) Uani 1 1 d . . 1
N12 N -0.3997(5) -0.0193(2) 0.4246(2) 0.0484(10) Uani 1 1 d . . 1
N13 N -0.5639(6) -0.1524(3) 0.3245(2) 0.0628(13) Uani 1 1 d . . 1
N14 N -0.5930(5) 0.2156(3) 0.34570(19) 0.0515(10) Uani 1 1 d . . 1
N15 N -0.7417(5) 0.1882(3) 0.35060(19) 0.0510(10) Uani 1 1 d . . 1
N16 N -1.1794(5) 0.1073(3) 0.3630(2) 0.0539(11) Uani 1 1 d . . 1
N17 N -1.0766(5) 0.0807(3) 0.2444(2) 0.0568(11) Uani 1 1 d . . 1
C1 C -1.2353(6) -0.8099(3) 0.0439(3) 0.0483(12) Uani 1 1 d . . 1
H1B H -1.2040 -0.8074 0.0049 0.058 Uiso 1 1 calc R . 1
C2 C -1.3815(7) -0.8440(4) 0.0447(3) 0.0655(15) Uani 1 1 d . . 1
H2C H -1.4485 -0.8634 0.0063 0.079 Uiso 1 1 calc R . 1
C3 C -1.4295(7) -0.8496(4) 0.1012(3) 0.0664(16) Uani 1 1 d . . 1
H3A H -1.5285 -0.8731 0.1012 0.080 Uiso 1 1 calc R . 1
C4 C -1.3298(7) -0.8202(4) 0.1584(3) 0.0675(16) Uani 1 1 d . . 1
H4B H -1.3620 -0.8243 0.1969 0.081 Uiso 1 1 calc R . 1
C5 C -1.1838(6) -0.7851(3) 0.1587(3) 0.0539(13) Uani 1 1 d . . 1
H5C H -1.1178 -0.7652 0.1974 0.065 Uiso 1 1 calc R . 1
C6 C -1.1339(5) -0.7792(3) 0.1008(2) 0.0414(11) Uani 1 1 d . . 1
C7 C -0.9753(5) -0.7440(3) 0.1013(2) 0.0392(10) Uani 1 1 d . . 1
C8 C -0.7078(8) -0.6264(4) 0.2689(3) 0.0766(19) Uani 1 1 d . . 1
H8B H -0.8138 -0.6463 0.2631 0.115 Uiso 1 1 calc R . 1
H8C H -0.6837 -0.5675 0.2890 0.115 Uiso 1 1 calc R . 1
H8D H -0.6591 -0.6540 0.2959 0.115 Uiso 1 1 calc R . 1
C9 C -0.6563(6) -0.6443(3) 0.2050(2) 0.0490(12) Uani 1 1 d . . 1
C10 C -0.4956(6) -0.6187(3) 0.2011(2) 0.0482(12) Uani 1 1 d . . 1
C11 C -0.4404(6) -0.6320(3) 0.1436(2) 0.0466(12) Uani 1 1 d . . 1
H11A H -0.5059 -0.6584 0.1054 0.056 Uiso 1 1 calc R . 1
C12 C -0.2076(7) -0.5689(4) 0.1975(3) 0.0616(14) Uani 1 1 d . . 1
H12A H -0.1069 -0.5487 0.1979 0.074 Uiso 1 1 calc R . 1
C13 C -0.2620(7) -0.5583(4) 0.2540(3) 0.0677(16) Uani 1 1 d . . 1
H13A H -0.1954 -0.5337 0.2923 0.081 Uiso 1 1 calc R . 1
C14 C -0.9390(6) -0.8674(3) -0.0625(2) 0.0521(13) Uani 1 1 d . . 1
H14B H -0.9847 -0.8367 -0.0855 0.062 Uiso 1 1 calc R . 1
C15 C -0.9145(7) -0.9446(3) -0.0946(3) 0.0624(15) Uani 1 1 d . . 1
H15B H -0.9467 -0.9667 -0.1388 0.075 Uiso 1 1 calc R . 1
C16 C -0.8416(7) -0.9884(3) -0.0600(3) 0.0668(17) Uani 1 1 d . . 1
H16B H -0.8200 -1.0388 -0.0815 0.080 Uiso 1 1 calc R . 1
C17 C -0.8015(7) -0.9583(3) 0.0049(3) 0.0596(14) Uani 1 1 d . . 1
H17B H -0.7550 -0.9888 0.0278 0.072 Uiso 1 1 calc R . 1
C18 C -0.8294(6) -0.8826(3) 0.0371(3) 0.0497(12) Uani 1 1 d . . 1
H18A H -0.8035 -0.8626 0.0817 0.060 Uiso 1 1 calc R . 1
C19 C -0.8962(5) -0.8362(3) 0.0028(2) 0.0401(10) Uani 1 1 d . . 1
C20 C -0.9232(5) -0.7534(3) 0.0373(2) 0.0380(10) Uani 1 1 d . . 1
C21 C -0.6943(5) -0.5498(3) 0.0443(3) 0.0497(12) Uani 1 1 d . . 1
H21A H -0.6797 -0.6039 0.0227 0.075 Uiso 1 1 calc R . 1
H21B H -0.6292 -0.5287 0.0850 0.075 Uiso 1 1 calc R . 1
H21C H -0.6722 -0.5128 0.0180 0.075 Uiso 1 1 calc R . 1
C22 C -0.8526(5) -0.5558(3) 0.0552(2) 0.0402(10) Uani 1 1 d . . 1
C23 C -0.9018(5) -0.4784(3) 0.0881(2) 0.0411(10) Uani 1 1 d . . 1
C24 C -1.0917(7) -0.4123(3) 0.1137(3) 0.0595(14) Uani 1 1 d . . 1
H24A H -1.1928 -0.4117 0.1108 0.071 Uiso 1 1 calc R . 1
C25 C -0.9885(8) -0.3427(3) 0.1503(3) 0.0667(16) Uani 1 1 d . . 1
H25A H -1.0220 -0.2957 0.1707 0.080 Uiso 1 1 calc R . 1
C26 C -0.8005(6) -0.4086(3) 0.1251(2) 0.0528(13) Uani 1 1 d . . 1
H26A H -0.6993 -0.4088 0.1278 0.063 Uiso 1 1 calc R . 1
C27 C -0.6236(10) -0.7702(6) -0.1093(5) 0.116(3) Uani 1 1 d U . 1
H27A H -0.6030 -0.7754 -0.1525 0.140 Uiso 1 1 calc R . 1
H27B H -0.7114 -0.7477 -0.1041 0.140 Uiso 1 1 calc R . 1
H27C H -0.6393 -0.8240 -0.1016 0.140 Uiso 1 1 calc R . 1
C28 C -0.5007(7) -0.7162(4) -0.0646(3) 0.0633(15) Uani 1 1 d U . 1
C29 C -0.6436(9) 0.3329(4) 0.5610(3) 0.0827(19) Uani 1 1 d U . 1
H29A H -0.6341 0.2918 0.5814 0.099 Uiso 1 1 calc R . 1
C30 C -0.6844(10) 0.4050(5) 0.5937(4) 0.107(3) Uani 1 1 d U . 1
H30A H -0.7005 0.4123 0.6363 0.128 Uiso 1 1 calc R . 1
C31 C -0.7009(10) 0.4649(4) 0.5640(4) 0.089(2) Uani 1 1 d . . 1
H31A H -0.7278 0.5133 0.5862 0.107 Uiso 1 1 calc R . 1
C32 C -0.6789(8) 0.4543(4) 0.5038(3) 0.0700(17) Uani 1 1 d . . 1
H32A H -0.6907 0.4954 0.4837 0.084 Uiso 1 1 calc R . 1
C33 C -0.6381(7) 0.3824(3) 0.4697(3) 0.0593(14) Uani 1 1 d . . 1
H33A H -0.6249 0.3757 0.4269 0.071 Uiso 1 1 calc R . 1
C34 C -0.6173(5) 0.3219(3) 0.4985(2) 0.0462(11) Uani 1 1 d . . 1
C35 C -0.5694(5) 0.2466(3) 0.4635(2) 0.0395(10) Uani 1 1 d . . 1
C36 C -0.7750(6) 0.0345(3) 0.4323(3) 0.0519(12) Uani 1 1 d . . 1
H36A H -0.8012 0.0862 0.4524 0.078 Uiso 1 1 calc R . 1
H36B H -0.8044 -0.0052 0.4555 0.078 Uiso 1 1 calc R . 1
H36C H -0.8251 0.0137 0.3885 0.078 Uiso 1 1 calc R . 1
C37 C -0.6102(5) 0.0483(3) 0.4331(2) 0.0393(10) Uani 1 1 d . . 1
C38 C -0.5432(5) -0.0233(3) 0.4046(2) 0.0428(11) Uani 1 1 d . . 1
C39 C -0.3418(6) -0.0833(3) 0.3966(3) 0.0567(13) Uani 1 1 d . . 1
H39A H -0.2437 -0.0838 0.4114 0.068 Uiso 1 1 calc R . 1
C40 C -0.4223(7) -0.1485(3) 0.3465(3) 0.0621(15) Uani 1 1 d . . 1
H40A H -0.3764 -0.1910 0.3276 0.074 Uiso 1 1 calc R . 1
C41 C -0.6252(6) -0.0895(3) 0.3549(3) 0.0552(13) Uani 1 1 d . . 1
H41A H -0.7252 -0.0908 0.3420 0.066 Uiso 1 1 calc R . 1
C42 C -0.2540(6) 0.3101(3) 0.4635(3) 0.0598(14) Uani 1 1 d . . 1
H42A H -0.2900 0.3070 0.5014 0.072 Uiso 1 1 calc R . 1
C43 C -0.1049(7) 0.3427(4) 0.4653(4) 0.0793(19) Uani 1 1 d . . 1
H43A H -0.0401 0.3602 0.5044 0.095 Uiso 1 1 calc R . 1
C44 C -0.0524(8) 0.3491(4) 0.4095(4) 0.082(2) Uani 1 1 d . . 1
H44A H 0.0478 0.3718 0.4111 0.098 Uiso 1 1 calc R . 1
C45 C -0.1439(7) 0.3230(4) 0.3525(4) 0.0768(18) Uani 1 1 d . . 1
H45A H -0.1063 0.3280 0.3152 0.092 Uiso 1 1 calc R . 1
C46 C -0.2956(6) 0.2882(4) 0.3486(3) 0.0596(14) Uani 1 1 d . . 1
H46A H -0.3582 0.2696 0.3090 0.071 Uiso 1 1 calc R . 1
C47 C -0.3508(6) 0.2819(3) 0.4046(2) 0.0462(11) Uani 1 1 d . . 1
C48 C -0.5100(5) 0.2452(3) 0.4016(2) 0.0428(11) Uani 1 1 d . . 1
C49 C -0.7776(7) 0.1364(4) 0.2312(3) 0.0682(16) Uani 1 1 d . . 1
H49A H -0.6729 0.1593 0.2361 0.102 Uiso 1 1 calc R . 1
H49B H -0.8323 0.1624 0.2049 0.102 Uiso 1 1 calc R . 1
H49C H -0.7966 0.0775 0.2109 0.102 Uiso 1 1 calc R . 1
C50 C -0.8253(6) 0.1513(3) 0.2950(2) 0.0459(11) Uani 1 1 d . . 1
C51 C -0.9842(6) 0.1216(3) 0.3000(2) 0.0445(11) Uani 1 1 d . . 1
C52 C -1.0353(6) 0.1353(3) 0.3592(2) 0.0454(11) Uani 1 1 d . . 1
H52A H -0.9690 0.1642 0.3967 0.054 Uiso 1 1 calc R . 1
C53 C -1.2685(6) 0.0672(3) 0.3075(3) 0.0591(14) Uani 1 1 d . . 1
H53A H -1.3688 0.0475 0.3083 0.071 Uiso 1 1 calc R . 1
C54 C -1.2180(6) 0.0538(3) 0.2491(3) 0.0598(14) Uani 1 1 d . . 1
H54A H -1.2850 0.0250 0.2117 0.072 Uiso 1 1 calc R . 1
Cl1 Cl 0.0075(2) 0.21448(13) 0.57335(9) 0.0925(5) Uani 1 1 d DU . 1
O1 O 0.0195(6) 0.1607(3) 0.5123(2) 0.0989(8) Uani 1 1 d DU . 1
O2 O 0.0686(7) 0.1811(4) 0.6193(3) 0.1224(17) Uani 1 1 d DU . 1
O3 O -0.1524(6) 0.2045(4) 0.5726(3) 0.1016(13) Uani 1 1 d DU . 1
Cl2 Cl -0.6584(3) -0.07208(12) 0.15754(11) 0.1021(6) Uani 1 1 d DU . 1
O4 O -0.7161(8) -0.1606(4) 0.1329(3) 0.1136(16) Uani 0.843(6) 1 d PDU . 1
O5 O -0.6093(11) -0.0491(5) 0.2259(4) 0.139(2) Uani 0.843(6) 1 d PDU . 1
O6 O -0.5297(10) -0.0532(5) 0.1290(4) 0.140(2) Uani 0.843(6) 1 d PDU . 1
O4' O -0.751(3) -0.057(2) 0.2076(14) 0.115(2) Uani 0.157(6) 1 d PDU . 2
O5' O -0.526(3) -0.089(2) 0.1954(17) 0.116(2) Uani 0.157(6) 1 d PDU . 2
O6' O -0.597(3) 0.0061(14) 0.1485(17) 0.116(2) Uani 0.157(6) 1 d PDU . 2
Cl3 Cl -0.4061(3) -0.37927(13) 0.22492(10) 0.0986(6) Uani 1 1 d DU . .
O7 O -0.431(2) -0.4278(10) 0.1612(6) 0.116(3) Uani 0.50 1 d PDU A 1
O8 O -0.5235(13) -0.3411(9) 0.2438(6) 0.119(3) Uani 0.50 1 d PDU A 1
O9 O -0.2718(13) -0.3148(7) 0.2355(6) 0.130(3) Uani 0.50 1 d PDU A 1
O7' O -0.417(2) -0.4112(10) 0.1529(6) 0.117(3) Uani 0.50 1 d PDU A 2
O8' O -0.5534(13) -0.4338(7) 0.2267(6) 0.130(3) Uani 0.50 1 d PDU A 2
O9' O -0.4516(16) -0.3014(6) 0.2287(6) 0.121(3) Uani 0.50 1 d PDU A 2
C56 C -0.8420(19) -0.4214(10) 0.3399(8) 0.117(4) Uiso 0.67 1 d PDU . .
O11 O -0.735(3) -0.3654(17) 0.3408(14) 0.181(9) Uiso 0.33 1 d PDU B 1
O12 O -0.926(3) -0.4675(15) 0.3591(12) 0.145(7) Uiso 0.33 1 d PDU B 2
C56' C -0.861(4) -0.3810(19) 0.3084(16) 0.123(8) Uiso 0.33 1 d PDU B 3
O11' O -0.855(3) -0.4474(15) 0.2694(12) 0.147(7) Uiso 0.33 1 d PDU B 3
O10 O -0.0474(7) 0.1793(3) 0.7325(3) 0.1042(17) Uani 1 1 d . . .
H10A H -0.0298 0.1925 0.6983 0.125 Uiso 1 1 d R . .
C55 C 0.0289(10) 0.1165(5) 0.7444(4) 0.102(3) Uani 1 1 d . . .
H55A H 0.0051 0.1042 0.7834 0.153 Uiso 1 1 calc R . .
H55B H 0.1345 0.1364 0.7488 0.153 Uiso 1 1 calc R . .
H55C H -0.0020 0.0670 0.7089 0.153 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'
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'
Cl Cl 0.1484 0.1585 '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
N9 Ag1 N6 131.54(18) . 1_655 ?
N9 Ag1 N3 103.46(18) . . ?
N6 Ag1 N3 119.50(14) 1_655 . ?
N9 Ag1 N7 132.94(17) . 1_655 ?
N6 Ag1 N7 69.31(13) 1_655 1_655 ?
N3 Ag1 N7 92.82(14) . 1_655 ?
N16 Ag2 N11 112.77(14) 1_655 . ?
N16 Ag2 O3 134.55(17) 1_655 . ?
N11 Ag2 O3 106.26(15) . . ?
N16 Ag2 N12 87.81(15) 1_655 . ?
N11 Ag2 N12 69.25(13) . . ?
O3 Ag2 N12 128.39(17) . . ?
N16 Ag2 O1 85.87(15) 1_655 . ?
N11 Ag2 O1 159.93(14) . . ?
O3 Ag2 O1 53.67(16) . . ?
N12 Ag2 O1 121.00(15) . . ?
N8 Ag3 N13 151.12(19) . . ?
N8 Ag3 O4 85.57(18) . . ?
N13 Ag3 O4 121.60(18) . . ?
C7 N1 N2 113.3(4) . . ?
C9 N2 N1 113.1(4) . . ?
C11 N3 C12 116.4(5) . . ?
C11 N3 Ag1 122.8(3) . . ?
C12 N3 Ag1 120.4(4) . . ?
C13 N4 C10 115.5(5) . . ?
C20 N5 N6 114.1(4) . . ?
C22 N6 N5 116.2(4) . . ?
C22 N6 Ag1 120.6(3) . 1_455 ?
N5 N6 Ag1 120.9(3) . 1_455 ?
C24 N7 C23 117.3(4) . . ?
C24 N7 Ag1 125.7(4) . 1_455 ?
C23 N7 Ag1 114.3(3) . 1_455 ?
C25 N8 C26 116.6(5) . . ?
C25 N8 Ag3 120.0(3) . . ?
C26 N8 Ag3 123.3(4) . . ?
C28 N9 Ag1 166.6(5) . . ?
C35 N10 N11 116.4(4) . . ?
C37 N11 N10 117.0(4) . . ?
C37 N11 Ag2 119.5(3) . . ?
N10 N11 Ag2 122.1(3) . . ?
C39 N12 C38 117.0(4) . . ?
C39 N12 Ag2 124.3(4) . . ?
C38 N12 Ag2 111.2(3) . . ?
C40 N13 C41 116.3(5) . . ?
C40 N13 Ag3 124.5(4) . . ?
C41 N13 Ag3 116.0(4) . . ?
C48 N14 N15 112.0(4) . . ?
C50 N15 N14 113.3(4) . . ?
C53 N16 C52 116.3(5) . . ?
C53 N16 Ag2 123.0(4) . 1_455 ?
C52 N16 Ag2 120.7(3) . 1_455 ?
C54 N17 C51 116.5(5) . . ?
C2 C1 C6 120.6(5) . . ?
C2 C1 H1B 119.7 . . ?
C6 C1 H1B 119.7 . . ?
C3 C2 C1 120.8(6) . . ?
C3 C2 H2C 119.6 . . ?
C1 C2 H2C 119.6 . . ?
C2 C3 C4 119.5(6) . . ?
C2 C3 H3A 120.3 . . ?
C4 C3 H3A 120.3 . . ?
C5 C4 C3 120.6(6) . . ?
C5 C4 H4B 119.7 . . ?
C3 C4 H4B 119.7 . . ?
C4 C5 C6 120.1(5) . . ?
C4 C5 H5C 119.9 . . ?
C6 C5 H5C 119.9 . . ?
C1 C6 C5 118.4(5) . . ?
C1 C6 C7 121.8(4) . . ?
C5 C6 C7 119.8(4) . . ?
N1 C7 C6 119.0(4) . . ?
N1 C7 C20 123.8(4) . . ?
C6 C7 C20 117.1(4) . . ?
C9 C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C8 H8D 109.5 . . ?
H8B C8 H8D 109.5 . . ?
H8C C8 H8D 109.5 . . ?
N2 C9 C10 115.0(4) . . ?
N2 C9 C8 125.2(5) . . ?
C10 C9 C8 119.8(5) . . ?
N4 C10 C11 121.2(5) . . ?
N4 C10 C9 115.8(5) . . ?
C11 C10 C9 122.9(4) . . ?
N3 C11 C10 122.1(5) . . ?
N3 C11 H11A 119.0 . . ?
C10 C11 H11A 119.0 . . ?
N3 C12 C13 121.1(6) . . ?
N3 C12 H12A 119.5 . . ?
C13 C12 H12A 119.5 . . ?
N4 C13 C12 123.5(5) . . ?
N4 C13 H13A 118.2 . . ?
C12 C13 H13A 118.2 . . ?
C19 C14 C15 120.4(5) . . ?
C19 C14 H14B 119.8 . . ?
C15 C14 H14B 119.8 . . ?
C16 C15 C14 119.2(5) . . ?
C16 C15 H15B 120.4 . . ?
C14 C15 H15B 120.4 . . ?
C17 C16 C15 120.4(5) . . ?
C17 C16 H16B 119.8 . . ?
C15 C16 H16B 119.8 . . ?
C16 C17 C18 120.3(5) . . ?
C16 C17 H17B 119.9 . . ?
C18 C17 H17B 119.9 . . ?
C17 C18 C19 120.0(5) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C14 C19 C18 119.6(4) . . ?
C14 C19 C20 120.3(4) . . ?
C18 C19 C20 120.1(4) . . ?
N5 C20 C19 117.9(4) . . ?
N5 C20 C7 123.8(4) . . ?
C19 C20 C7 118.2(4) . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N6 C22 C21 125.6(4) . . ?
N6 C22 C23 115.3(4) . . ?
C21 C22 C23 119.0(4) . . ?
N7 C23 C26 121.0(4) . . ?
N7 C23 C22 117.6(4) . . ?
C26 C23 C22 121.3(4) . . ?
N7 C24 C25 120.9(5) . . ?
N7 C24 H24A 119.5 . . ?
C25 C24 H24A 119.5 . . ?
N8 C25 C24 122.3(5) . . ?
N8 C25 H25A 118.9 . . ?
C24 C25 H25A 118.9 . . ?
N8 C26 C23 121.9(5) . . ?
N8 C26 H26A 119.1 . . ?
C23 C26 H26A 119.1 . . ?
N9 C28 C27 178.8(9) . . ?
C34 C29 C30 120.4(7) . . ?
C34 C29 H29A 119.8 . . ?
C30 C29 H29A 119.8 . . ?
C31 C30 C29 120.3(8) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C32 C31 C30 119.8(6) . . ?
C32 C31 H31A 120.1 . . ?
C30 C31 H31A 120.1 . . ?
C31 C32 C33 121.1(6) . . ?
C31 C32 H32A 119.5 . . ?
C33 C32 H32A 119.5 . . ?
C34 C33 C32 120.6(6) . . ?
C34 C33 H33A 119.7 . . ?
C32 C33 H33A 119.7 . . ?
C33 C34 C29 117.8(5) . . ?
C33 C34 C35 121.1(5) . . ?
C29 C34 C35 121.1(5) . . ?
N10 C35 C34 118.6(4) . . ?
N10 C35 C48 122.2(4) . . ?
C34 C35 C48 119.2(4) . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C37 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N11 C37 C38 116.0(4) . . ?
N11 C37 C36 124.8(4) . . ?
C38 C37 C36 119.2(4) . . ?
N12 C38 C41 121.0(4) . . ?
N12 C38 C37 118.5(4) . . ?
C41 C38 C37 120.4(4) . . ?
N12 C39 C40 122.1(5) . . ?
N12 C39 H39A 119.0 . . ?
C40 C39 H39A 119.0 . . ?
N13 C40 C39 121.8(5) . . ?
N13 C40 H40A 119.1 . . ?
C39 C40 H40A 119.1 . . ?
N13 C41 C38 121.7(5) . . ?
N13 C41 H41A 119.1 . . ?
C38 C41 H41A 119.1 . . ?
C43 C42 C47 120.1(6) . . ?
C43 C42 H42A 119.9 . . ?
C47 C42 H42A 119.9 . . ?
C44 C43 C42 119.9(6) . . ?
C44 C43 H43A 120.0 . . ?
C42 C43 H43A 120.0 . . ?
C45 C44 C43 120.9(6) . . ?
C45 C44 H44A 119.6 . . ?
C43 C44 H44A 119.6 . . ?
C44 C45 C46 120.7(7) . . ?
C44 C45 H45A 119.6 . . ?
C46 C45 H45A 119.6 . . ?
C47 C46 C45 119.2(6) . . ?
C47 C46 H46A 120.4 . . ?
C45 C46 H46A 120.4 . . ?
C46 C47 C42 119.2(5) . . ?
C46 C47 C48 120.1(5) . . ?
C42 C47 C48 120.7(5) . . ?
N14 C48 C47 118.4(4) . . ?
N14 C48 C35 122.8(4) . . ?
C47 C48 C35 118.8(4) . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N15 C50 C49 126.9(5) . . ?
N15 C50 C51 113.5(4) . . ?
C49 C50 C51 119.6(4) . . ?
N17 C51 C52 121.4(5) . . ?
N17 C51 C50 116.8(5) . . ?
C52 C51 C50 121.8(4) . . ?
N16 C52 C51 121.2(4) . . ?
N16 C52 H52A 119.4 . . ?
C51 C52 H52A 119.4 . . ?
N16 C53 C54 122.5(5) . . ?
N16 C53 H53A 118.8 . . ?
C54 C53 H53A 118.8 . . ?
N17 C54 C53 122.1(5) . . ?
N17 C54 H54A 119.0 . . ?
C53 C54 H54A 119.0 . . ?
O2 Cl1 O1 105.5(4) . . ?
O2 Cl1 O3 109.9(4) . . ?
O1 Cl1 O3 103.6(3) . . ?
Cl1 O1 Ag2 97.2(3) . . ?
Cl1 O3 Ag2 104.6(3) . . ?
O6 Cl2 O5 106.5(5) . . ?
O6 Cl2 O4 107.1(5) . . ?
O5 Cl2 O4 110.8(4) . . ?
Cl2 O4 Ag3 109.1(4) . . ?
O7 Cl3 O8 114.6(10) . . ?
O7 Cl3 O9' 110.1(11) . . ?
O8 Cl3 O9' 41.2(7) . . ?
O7 Cl3 O9 109.2(9) . . ?
O8 Cl3 O9 108.5(7) . . ?
O9' Cl3 O9 72.2(7) . . ?
O7 Cl3 O7' 14.6(13) . . ?
O8 Cl3 O7' 113.4(11) . . ?
O9' Cl3 O7' 99.3(9) . . ?
O9 Cl3 O7' 96.9(9) . . ?
O7 Cl3 O8' 82.4(10) . . ?
O8 Cl3 O8' 61.3(7) . . ?
O9' Cl3 O8' 100.1(7) . . ?
O9 Cl3 O8' 167.6(7) . . ?
O7' Cl3 O8' 94.0(8) . . ?
C56' C56 O12 132(3) . . ?
C56' C56 O11 63(2) . . ?
O12 C56 O11 159(3) . . ?
C56' C56 O11' 55.5(16) . . ?
O12 C56 O11' 112(2) . . ?
O11 C56 O11' 88(2) . . ?
C56 C56' O11' 77(2) . . ?
C56' O11' C56 47.4(17) . . ?
C55 O10 H10A 113.1 . . ?
O10 C55 H55A 109.5 . . ?
O10 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O10 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 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 N9 2.195(5) . ?
Ag1 N6 2.334(4) 1_655 ?
Ag1 N3 2.339(4) . ?
Ag1 N7 2.410(4) 1_655 ?
Ag2 N16 2.342(5) 1_655 ?
Ag2 N11 2.353(4) . ?
Ag2 O3 2.413(5) . ?
Ag2 N12 2.449(4) . ?
Ag2 O1 2.593(5) . ?
Ag3 N8 2.262(4) . ?
Ag3 N13 2.268(5) . ?
Ag3 O4 2.544(7) . ?
N1 C7 1.288(6) . ?
N1 N2 1.393(6) . ?
N2 C9 1.304(6) . ?
N3 C11 1.331(7) . ?
N3 C12 1.339(7) . ?
N4 C13 1.328(8) . ?
N4 C10 1.345(6) . ?
N5 C20 1.286(6) . ?
N5 N6 1.404(5) . ?
N6 C22 1.277(6) . ?
N6 Ag1 2.334(4) 1_455 ?
N7 C24 1.334(6) . ?
N7 C23 1.339(6) . ?
N7 Ag1 2.410(4) 1_455 ?
N8 C25 1.323(8) . ?
N8 C26 1.339(6) . ?
N9 C28 1.125(7) . ?
N10 C35 1.278(6) . ?
N10 N11 1.388(5) . ?
N11 C37 1.283(6) . ?
N12 C39 1.331(6) . ?
N12 C38 1.333(6) . ?
N13 C40 1.326(7) . ?
N13 C41 1.352(7) . ?
N14 C48 1.292(6) . ?
N14 N15 1.393(6) . ?
N15 C50 1.300(6) . ?
N16 C53 1.329(7) . ?
N16 C52 1.350(7) . ?
N16 Ag2 2.342(5) 1_455 ?
N17 C54 1.328(7) . ?
N17 C51 1.346(6) . ?
C1 C2 1.375(8) . ?
C1 C6 1.388(7) . ?
C1 H1B 0.9300 . ?
C2 C3 1.366(9) . ?
C2 H2C 0.9300 . ?
C3 C4 1.384(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.372(8) . ?
C4 H4B 0.9300 . ?
C5 C6 1.402(7) . ?
C5 H5C 0.9300 . ?
C6 C7 1.478(7) . ?
C7 C20 1.496(6) . ?
C8 C9 1.488(8) . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 H8D 0.9600 . ?
C9 C10 1.487(7) . ?
C10 C11 1.376(7) . ?
C11 H11A 0.9300 . ?
C12 C13 1.355(9) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C19 1.367(7) . ?
C14 C15 1.389(7) . ?
C14 H14B 0.9300 . ?
C15 C16 1.387(8) . ?
C15 H15B 0.9300 . ?
C16 C17 1.356(9) . ?
C16 H16B 0.9300 . ?
C17 C18 1.380(7) . ?
C17 H17B 0.9300 . ?
C18 C19 1.388(7) . ?
C18 H18A 0.9300 . ?
C19 C20 1.492(6) . ?
C21 C22 1.494(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.499(6) . ?
C23 C26 1.374(6) . ?
C24 C25 1.379(8) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.421(10) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 C34 1.372(8) . ?
C29 C30 1.385(9) . ?
C29 H29A 0.9300 . ?
C30 C31 1.359(11) . ?
C30 H30A 0.9300 . ?
C31 C32 1.313(10) . ?
C31 H31A 0.9300 . ?
C32 C33 1.392(8) . ?
C32 H32A 0.9300 . ?
C33 C34 1.363(7) . ?
C33 H33A 0.9300 . ?
C34 C35 1.478(6) . ?
C35 C48 1.498(7) . ?
C36 C37 1.494(7) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.486(6) . ?
C38 C41 1.382(7) . ?
C39 C40 1.373(8) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C42 C43 1.382(9) . ?
C42 C47 1.399(7) . ?
C42 H42A 0.9300 . ?
C43 C44 1.374(11) . ?
C43 H43A 0.9300 . ?
C44 C45 1.344(10) . ?
C44 H44A 0.9300 . ?
C45 C46 1.405(9) . ?
C45 H45A 0.9300 . ?
C46 C47 1.387(8) . ?
C46 H46A 0.9300 . ?
C47 C48 1.479(7) . ?
C49 C50 1.470(7) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 C51 1.489(7) . ?
C51 C52 1.392(7) . ?
C52 H52A 0.9300 . ?
C53 C54 1.374(9) . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
Cl1 O2 1.383(5) . ?
Cl1 O1 1.432(5) . ?
Cl1 O3 1.453(5) . ?
Cl2 O6 1.420(8) . ?
Cl2 O5 1.433(7) . ?
Cl2 O4 1.442(6) . ?
Cl3 O7 1.388(11) . ?
Cl3 O8 1.403(9) . ?
Cl3 O9' 1.444(9) . ?
Cl3 O9 1.456(10) . ?
Cl3 O7' 1.504(11) . ?
Cl3 O8' 1.515(11) . ?
C56 C56' 1.11(3) . ?
C56 O12 1.18(2) . ?
C56 O11 1.24(2) . ?
C56 O11' 1.47(3) . ?
C56' O11' 1.24(2) . ?
O10 C55 1.437(8) . ?
O10 H10A 0.8498 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
