#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:24:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179629 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/93/4509337.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509337
loop_
_publ_author_name
'Santillan, Guillermo A.'
'Carrano, Carl J.'
_publ_section_title
;
 Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen
 Bonding with Ditopic Heteroscorpionate Ligands
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1590
_journal_paper_doi               10.1021/cg801256h
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C48 H62 Ag Cl N8 O11'
_chemical_formula_weight         1070.38
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.900(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.388(9)
_cell_length_b                   11.245(2)
_cell_length_c                   25.791(6)
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      21.35
_cell_measurement_theta_min      2.22
_cell_volume                     10255(4)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0893
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            82208
_diffrn_reflns_theta_full        24.46
_diffrn_reflns_theta_max         24.46
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.510
_exptl_absorpt_correction_T_max  0.9507
_exptl_absorpt_correction_T_min  0.7164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         8413
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0552
_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)+(0.0769P)²+40.7262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                5734
_reflns_number_total             8413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg801256hsup1.cif
_cod_data_source_block           gs99a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4509337
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.389107(11) -0.26561(3) 0.371644(17) 0.04762(16) Uani 1 1 d .
N1 N 0.41690(11) -0.0796(4) 0.36730(17) 0.0430(10) Uani 1 1 d .
N2 N 0.42863(10) 0.0012(3) 0.41248(17) 0.0368(9) Uani 1 1 d .
N3 N 0.41057(11) -0.2034(3) 0.46686(16) 0.0392(10) Uani 1 1 d .
N4 N 0.41801(10) -0.0895(3) 0.48768(16) 0.0366(9) Uani 1 1 d .
N5 N 0.34093(11) -0.3301(3) 0.28347(17) 0.0413(10) Uani 1 1 d .
N6 N 0.34019(11) -0.4373(3) 0.25770(16) 0.0376(9) Uani 1 1 d .
N7 N 0.41857(11) -0.4407(3) 0.36031(18) 0.0421(10) Uani 1 1 d .
N8 N 0.39990(10) -0.5289(3) 0.32114(17) 0.0376(9) Uani 1 1 d .
O1 O 0.26178(10) 0.1660(4) 0.23257(17) 0.0645(11) Uani 1 1 d .
O2 O 0.31884(11) 0.2007(3) 0.24262(16) 0.0533(9) Uani 1 1 d .
O3 O 0.37020(14) -0.7051(5) 0.52932(19) 0.0830(14) Uani 1 1 d .
O4 O 0.41636(12) -0.7121(4) 0.50665(18) 0.0653(11) Uani 1 1 d .
C1 C 0.47555(16) 0.1659(5) 0.4605(3) 0.0641(16) Uani 1 1 d .
H1A H 0.4642 0.1697 0.4861 0.096 Uiso 1 1 calc R
H1B H 0.4726 0.2420 0.4410 0.096 Uiso 1 1 calc R
H1C H 0.5023 0.1475 0.4839 0.096 Uiso 1 1 calc R
C2 C 0.45651(14) 0.0713(5) 0.4150(2) 0.0462(13) Uani 1 1 d .
C3 C 0.46310(16) 0.0344(5) 0.3699(3) 0.0567(15) Uani 1 1 d .
H3A H 0.4807 0.0665 0.3598 0.068 Uiso 1 1 calc R
C4 C 0.43852(15) -0.0598(5) 0.3424(2) 0.0503(14) Uani 1 1 d .
C5 C 0.4346(2) -0.1360(6) 0.2917(3) 0.0724(18) Uani 1 1 d .
H5A H 0.4149 -0.1949 0.2825 0.109 Uiso 1 1 calc R
H5B H 0.4584 -0.1758 0.3028 0.109 Uiso 1 1 calc R
H5C H 0.4278 -0.0865 0.2573 0.109 Uiso 1 1 calc R
C6 C 0.44160(17) 0.0270(5) 0.5820(2) 0.0572(15) Uani 1 1 d .
H6A H 0.4517 0.0091 0.6237 0.086 Uiso 1 1 calc R
H6B H 0.4187 0.0737 0.5682 0.086 Uiso 1 1 calc R
H6C H 0.4602 0.0717 0.5764 0.086 Uiso 1 1 calc R
C7 C 0.43278(13) -0.0865(4) 0.5476(2) 0.0400(12) Uani 1 1 d .
C8 C 0.43572(14) -0.2014(5) 0.5657(2) 0.0467(13) Uani 1 1 d .
H8A H 0.4453 -0.2285 0.6049 0.056 Uiso 1 1 calc R
C9 C 0.42170(14) -0.2711(4) 0.5148(2) 0.0426(12) Uani 1 1 d .
C10 C 0.41887(19) -0.4028(5) 0.5092(3) 0.0665(17) Uani 1 1 d .
H10A H 0.4080 -0.4248 0.4679 0.100 Uiso 1 1 calc R
H10B H 0.4029 -0.4321 0.5249 0.100 Uiso 1 1 calc R
H10C H 0.4439 -0.4374 0.5314 0.100 Uiso 1 1 calc R
C11 C 0.40940(12) 0.0107(4) 0.4473(2) 0.0347(11) Uani 1 1 d .
H11A H 0.4201 0.0817 0.4727 0.042 Uiso 1 1 calc R
C12 C 0.36742(12) 0.0341(4) 0.4103(2) 0.0337(10) Uani 1 1 d .
C13 C 0.34423(14) 0.0120(5) 0.4350(2) 0.0474(13) Uani 1 1 d .
H13A H 0.3543 -0.0227 0.4728 0.057 Uiso 1 1 calc R
C14 C 0.30620(15) 0.0410(5) 0.4042(3) 0.0575(15) Uani 1 1 d .
H14A H 0.2905 0.0272 0.4212 0.069 Uiso 1 1 calc R
C15 C 0.29139(14) 0.0904(5) 0.3482(2) 0.0491(13) Uani 1 1 d .
H15A H 0.2654 0.1079 0.3267 0.059 Uiso 1 1 calc R
C16 C 0.31445(13) 0.1143(4) 0.3235(2) 0.0369(11) Uani 1 1 d .
C17 C 0.35265(13) 0.0874(4) 0.3554(2) 0.0349(11) Uani 1 1 d .
H17A H 0.3686 0.1057 0.3395 0.042 Uiso 1 1 calc R
C18 C 0.29944(14) 0.1655(4) 0.2633(2) 0.0424(12) Uani 1 1 d .
C19 C 0.31067(18) -0.5374(5) 0.1583(2) 0.0652(17) Uani 1 1 d .
H19A H 0.3248 -0.6056 0.1814 0.098 Uiso 1 1 calc R
H19B H 0.3184 -0.5193 0.1289 0.098 Uiso 1 1 calc R
H19C H 0.2838 -0.5554 0.1385 0.098 Uiso 1 1 calc R
C20 C 0.31837(14) -0.4330(5) 0.1981(2) 0.0428(12) Uani 1 1 d .
C21 C 0.30459(14) -0.3191(4) 0.1845(2) 0.0447(12) Uani 1 1 d .
H21A H 0.2885 -0.2881 0.1467 0.054 Uiso 1 1 calc R
C22 C 0.31946(13) -0.2589(4) 0.2384(2) 0.0422(12) Uani 1 1 d .
C23 C 0.31344(18) -0.1325(5) 0.2504(3) 0.0690(18) Uani 1 1 d .
H23A H 0.3279 -0.1169 0.2926 0.104 Uiso 1 1 calc R
H23B H 0.2868 -0.1194 0.2370 0.104 Uiso 1 1 calc R
H23C H 0.3218 -0.0794 0.2294 0.104 Uiso 1 1 calc R
C24 C 0.41086(17) -0.7122(5) 0.2763(3) 0.0592(15) Uani 1 1 d .
H24A H 0.3834 -0.7154 0.2562 0.089 Uiso 1 1 calc R
H24B H 0.4211 -0.7839 0.2995 0.089 Uiso 1 1 calc R
H24C H 0.4195 -0.7059 0.2473 0.089 Uiso 1 1 calc R
C25 C 0.42400(14) -0.6067(4) 0.3161(2) 0.0445(12) Uani 1 1 d .
C26 C 0.45930(15) -0.5643(5) 0.3530(2) 0.0519(14) Uani 1 1 d .
H26A H 0.4823 -0.5981 0.3594 0.062 Uiso 1 1 calc R
C27 C 0.45508(14) -0.4615(5) 0.3796(2) 0.0474(13) Uani 1 1 d .
C28 C 0.48415(16) -0.3799(6) 0.4231(3) 0.0691(18) Uani 1 1 d .
H28A H 0.4718 -0.3168 0.4331 0.104 Uiso 1 1 calc R
H28B H 0.4988 -0.3458 0.4060 0.104 Uiso 1 1 calc R
H28C H 0.5008 -0.4239 0.4586 0.104 Uiso 1 1 calc R
C29 C 0.35912(12) -0.5387(4) 0.2942(2) 0.0354(11) Uani 1 1 d .
H29A H 0.3519 -0.6078 0.2670 0.043 Uiso 1 1 calc R
C30 C 0.34537(13) -0.5670(4) 0.3386(2) 0.0365(11) Uani 1 1 d .
C31 C 0.30736(14) -0.5556(5) 0.3220(2) 0.0484(13) Uani 1 1 d .
H31A H 0.2905 -0.5235 0.2848 0.058 Uiso 1 1 calc R
C32 C 0.29413(15) -0.5911(5) 0.3599(3) 0.0539(14) Uani 1 1 d .
H32A H 0.2682 -0.5850 0.3477 0.065 Uiso 1 1 calc R
C33 C 0.31854(15) -0.6355(5) 0.4158(2) 0.0515(14) Uani 1 1 d .
H33A H 0.3094 -0.6573 0.4418 0.062 Uiso 1 1 calc R
C34 C 0.35663(14) -0.6472(4) 0.4326(2) 0.0415(12) Uani 1 1 d .
C35 C 0.36965(13) -0.6139(4) 0.3938(2) 0.0362(11) Uani 1 1 d .
H35A H 0.3954 -0.6235 0.4052 0.043 Uiso 1 1 calc R
C36 C 0.38416(18) -0.6911(4) 0.4925(2) 0.0492(13) Uani 1 1 d .
C37 C 0.3975(3) 0.3731(11) 0.6706(6) 0.148(5) Uani 1 1 d .
H37A H 0.3698 0.3752 0.6477 0.177 Uiso 1 1 calc R
H37B H 0.4051 0.3532 0.7118 0.177 Uiso 1 1 calc R
C38 C 0.4525(3) 0.3144(16) 0.6688(6) 0.170(6) Uani 1 1 d .
H38A H 0.4620 0.3014 0.6407 0.203 Uiso 1 1 calc R
H38B H 0.4682 0.2702 0.7054 0.203 Uiso 1 1 calc R
C39 C 0.4141(9) 0.4884(16) 0.6666(8) 0.311(17) Uani 1 1 d .
H39A H 0.4008 0.5232 0.6268 0.373 Uiso 1 1 calc R
H39B H 0.4154 0.5462 0.6960 0.373 Uiso 1 1 calc R
C40 C 0.4508(5) 0.442(2) 0.6804(10) 0.275(12) Uani 1 1 d .
H40A H 0.4682 0.4566 0.7225 0.330 Uiso 1 1 calc R
H40B H 0.4602 0.4869 0.6577 0.330 Uiso 1 1 calc R
C41 C 0.1816(3) 0.1742(11) 0.0275(4) 0.135(4) Uani 1 1 d .
H41A H 0.1695 0.0957 0.0180 0.162 Uiso 1 1 calc R
H41B H 0.1643 0.2317 -0.0015 0.162 Uiso 1 1 calc R
C42 C 0.2167(3) 0.1708(15) 0.0263(5) 0.171(5) Uani 1 1 d .
H42A H 0.2197 0.0938 0.0112 0.206 Uiso 1 1 calc R
H42B H 0.2172 0.2334 0.0002 0.206 Uiso 1 1 calc R
C43 C 0.2464(3) 0.1885(12) 0.0850(4) 0.141(4) Uani 1 1 d .
H43A H 0.2611 0.1151 0.1000 0.170 Uiso 1 1 calc R
H43B H 0.2635 0.2511 0.0855 0.170 Uiso 1 1 calc R
C44 C 0.1906(2) 0.2098(7) 0.0881(4) 0.098(3) Uani 1 1 d .
H44A H 0.1785 0.2857 0.0874 0.117 Uiso 1 1 calc R
H44B H 0.1819 0.1494 0.1061 0.117 Uiso 1 1 calc R
C45 C 0.3439(4) 1.0451(10) 0.6308(5) 0.172(6) Uani 1 1 d .
H45A H 0.3219 1.0623 0.6361 0.206 Uiso 1 1 calc R
H45B H 0.3609 1.1139 0.6443 0.206 Uiso 1 1 calc R
C46 C 0.3632(4) 0.9399(10) 0.6633(5) 0.147(4) Uani 1 1 d .
H46A H 0.3499 0.9054 0.6830 0.176 Uiso 1 1 calc R
H46B H 0.3891 0.9592 0.6934 0.176 Uiso 1 1 calc R
C47 C 0.3325(4) 1.0195(11) 0.5713(5) 0.157(5) Uani 1 1 d .
H47A H 0.3050 1.0087 0.5495 0.188 Uiso 1 1 calc R
H47B H 0.3390 1.0862 0.5535 0.188 Uiso 1 1 calc R
C48 C 0.3633(4) 0.8568(10) 0.6201(4) 0.142(4) Uani 1 1 d .
H48A H 0.3891 0.8279 0.6330 0.170 Uiso 1 1 calc R
H48B H 0.3471 0.7883 0.6153 0.170 Uiso 1 1 calc R
Cl1 Cl 0.5000 1.1767(3) 0.2500 0.0773(7) Uani 1 2 d S
O5 O 0.5326(3) 1.1104(11) 0.2726(5) 0.248(6) Uani 1 1 d .
O6 O 0.4998(2) 1.2335(9) 0.2948(3) 0.170(4) Uani 1 1 d .
O7 O 0.4138(2) 0.2838(6) 0.6440(3) 0.125(2) Uani 1 1 d .
O8 O 0.23108(14) 0.2210(5) 0.1204(2) 0.0967(17) Uani 1 1 d .
O9 O 0.3498(3) 0.9187(8) 0.5672(3) 0.180(4) Uani 1 1 d .
Cl2 Cl 0.2500 -0.2500 0.0000 0.242(6) Uani 1 2 d SD
O11 O 0.2540(4) -0.1778(13) 0.0508(4) 0.144(7) Uani 0.50 1 d PD
O10 O 0.2908(3) -0.2816(17) 0.0353(6) 0.210(10) Uani 0.50 1 d PD
O12 O 0.2525(6) -0.3805(10) 0.007(2) 0.48(5) Uani 0.50 1 d PD
O13 O 0.2368(7) -0.334(2) 0.0295(8) 0.209(10) Uani 0.50 1 d PD
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
N5 Ag1 N3 150.10(15) . .
N5 Ag1 N7 81.47(14) . .
N3 Ag1 N7 115.54(14) . .
N5 Ag1 N1 115.01(14) . .
N3 Ag1 N1 80.80(14) . .
N7 Ag1 N1 116.12(14) . .
C4 N1 N2 105.2(4) . .
C4 N1 Ag1 126.8(3) . .
N2 N1 Ag1 121.0(3) . .
C2 N2 N1 111.4(4) . .
C2 N2 C11 127.8(4) . .
N1 N2 C11 120.5(4) . .
C9 N3 N4 105.1(4) . .
C9 N3 Ag1 127.3(3) . .
N4 N3 Ag1 127.4(3) . .
C7 N4 N3 111.3(4) . .
C7 N4 C11 127.8(4) . .
N3 N4 C11 120.9(3) . .
C22 N5 N6 104.7(4) . .
C22 N5 Ag1 124.2(3) . .
N6 N5 Ag1 124.8(3) . .
C20 N6 N5 111.7(4) . .
C20 N6 C29 128.2(4) . .
N5 N6 C29 120.0(4) . .
C27 N7 N8 105.4(4) . .
C27 N7 Ag1 128.8(3) . .
N8 N7 Ag1 124.3(3) . .
N7 N8 C25 112.1(4) . .
N7 N8 C29 120.5(4) . .
C25 N8 C29 127.2(4) . .
N2 C2 C3 106.3(5) . .
N2 C2 C1 123.7(5) . .
C3 C2 C1 130.0(5) . .
C2 C3 C4 106.3(5) . .
N1 C4 C3 110.7(5) . .
N1 C4 C5 120.4(5) . .
C3 C4 C5 128.9(5) . .
C8 C7 N4 106.5(4) . .
C8 C7 C6 130.6(5) . .
N4 C7 C6 122.9(4) . .
C7 C8 C9 106.4(4) . .
N3 C9 C8 110.8(4) . .
N3 C9 C10 120.3(5) . .
C8 C9 C10 128.9(5) . .
N2 C11 N4 111.8(4) . .
N2 C11 C12 113.3(4) . .
N4 C11 C12 113.1(4) . .
C17 C12 C13 119.8(4) . .
C17 C12 C11 121.3(4) . .
C13 C12 C11 118.6(4) . .
C14 C13 C12 120.2(5) . .
C13 C14 C15 119.5(5) . .
C14 C15 C16 120.7(5) . .
C15 C16 C17 119.1(4) . .
C15 C16 C18 122.1(4) . .
C17 C16 C18 118.7(4) . .
C12 C17 C16 120.6(4) . .
O2 C18 O1 122.3(5) . .
O2 C18 C16 124.4(5) . .
O1 C18 C16 113.3(5) . .
N6 C20 C21 106.5(4) . .
N6 C20 C19 124.0(5) . .
C21 C20 C19 129.4(5) . .
C20 C21 C22 105.8(4) . .
N5 C22 C21 111.3(4) . .
N5 C22 C23 119.5(5) . .
C21 C22 C23 129.2(5) . .
N8 C25 C26 105.3(4) . .
N8 C25 C24 123.0(5) . .
C26 C25 C24 131.6(5) . .
C25 C26 C27 107.3(5) . .
N7 C27 C26 109.8(5) . .
N7 C27 C28 120.1(5) . .
C26 C27 C28 130.0(5) . .
N6 C29 N8 112.0(4) . .
N6 C29 C30 112.5(4) . .
N8 C29 C30 113.3(4) . .
C35 C30 C31 118.7(5) . .
C35 C30 C29 121.1(4) . .
C31 C30 C29 119.9(4) . .
C32 C31 C30 120.3(5) . .
C31 C32 C33 121.0(5) . .
C32 C33 C34 119.0(5) . .
C33 C34 C35 119.8(5) . .
C33 C34 C36 121.2(5) . .
C35 C34 C36 119.0(5) . .
C30 C35 C34 121.2(4) . .
O4 C36 O3 122.4(5) . .
O4 C36 C34 122.8(5) . .
O3 C36 C34 114.8(5) . .
C39 C37 O7 103.6(11) . .
O7 C38 C40 100.2(12) . .
C40 C39 C37 96.4(14) . .
C39 C40 C38 116.5(18) . .
C42 C41 C44 106.8(8) . .
C43 C42 C41 107.8(9) . .
O8 C43 C42 109.0(8) . .
O8 C44 C41 105.6(7) . .
C47 C45 C46 105.5(9) . .
C45 C46 C48 106.4(9) . .
O9 C47 C45 110.3(9) . .
O9 C48 C46 106.6(9) . .
O6 Cl1 O6 122.4(9) . 2_655
O6 Cl1 O5 102.9(5) . 2_655
O6 Cl1 O5 107.5(6) 2_655 2_655
O6 Cl1 O5 107.5(6) . .
O6 Cl1 O5 102.9(5) 2_655 .
O5 Cl1 O5 114.2(12) 2_655 .
C38 O7 C37 105.0(9) . .
C43 O8 C44 109.9(6) . .
C47 O9 C48 108.2(8) . .
O13 Cl2 O13 180.0(9) . 7_545
O13 Cl2 O12 132.8(14) . 7_545
O13 Cl2 O12 47.2(14) 7_545 7_545
O13 Cl2 O12 47.2(14) . .
O13 Cl2 O12 132.8(14) 7_545 .
O12 Cl2 O12 180(4) 7_545 .
O13 Cl2 O11 78.7(11) . .
O13 Cl2 O11 101.3(11) 7_545 .
O12 Cl2 O11 62.0(19) 7_545 .
O12 Cl2 O11 118.0(19) . .
O13 Cl2 O11 101.3(11) . 7_545
O13 Cl2 O11 78.7(11) 7_545 7_545
O12 Cl2 O11 118.0(19) 7_545 7_545
O12 Cl2 O11 62.0(19) . 7_545
O11 Cl2 O11 180.0(13) . 7_545
O13 Cl2 O10 84.1(13) . 7_545
O13 Cl2 O10 95.9(13) 7_545 7_545
O12 Cl2 O10 72.5(11) 7_545 7_545
O12 Cl2 O10 107.5(11) . 7_545
O11 Cl2 O10 91.4(8) . 7_545
O11 Cl2 O10 88.6(8) 7_545 7_545
O13 Cl2 O10 95.9(13) . .
O13 Cl2 O10 84.1(13) 7_545 .
O12 Cl2 O10 107.5(11) 7_545 .
O12 Cl2 O10 72.5(11) . .
O11 Cl2 O10 88.6(8) . .
O11 Cl2 O10 91.4(8) 7_545 .
O10 Cl2 O10 180(2) 7_545 .
Cl2 O11 O12 58.8(10) . 7_545
Cl2 O10 O12 53.3(6) . .
O13 O12 Cl2 65.9(7) . .
O13 O12 O11 114.4(16) . 7_545
Cl2 O12 O11 59.2(10) . 7_545
O13 O12 O10 95(2) . .
Cl2 O12 O10 54.2(6) . .
O11 O12 O10 80.7(14) 7_545 .
O12 O13 Cl2 67.0(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N5 2.282(4) .
Ag1 N3 2.283(4) .
Ag1 N7 2.390(4) .
Ag1 N1 2.402(4) .
N1 C4 1.330(6) .
N1 N2 1.369(5) .
N2 C2 1.350(6) .
N2 C11 1.448(6) .
N3 C9 1.332(6) .
N3 N4 1.365(5) .
N4 C7 1.361(6) .
N4 C11 1.457(6) .
N5 C22 1.330(6) .
N5 N6 1.370(5) .
N6 C20 1.354(6) .
N6 C29 1.441(6) .
N7 C27 1.330(6) .
N7 N8 1.355(5) .
N8 C25 1.361(6) .
N8 C29 1.450(6) .
O1 C18 1.333(6) .
O2 C18 1.207(6) .
O3 C36 1.327(7) .
O4 C36 1.193(7) .
C1 C2 1.493(7) .
C2 C3 1.376(8) .
C3 C4 1.390(8) .
C4 C5 1.504(8) .
C6 C7 1.495(7) .
C7 C8 1.360(7) .
C8 C9 1.393(7) .
C9 C10 1.487(7) .
C11 C12 1.514(6) .
C12 C17 1.381(6) .
C12 C13 1.386(7) .
C13 C14 1.385(7) .
C14 C15 1.385(8) .
C15 C16 1.386(7) .
C16 C17 1.386(6) .
C16 C18 1.483(7) .
C19 C20 1.491(7) .
C20 C21 1.373(7) .
C21 C22 1.394(7) .
C22 C23 1.499(7) .
C24 C25 1.489(7) .
C25 C26 1.362(7) .
C26 C27 1.396(7) .
C27 C28 1.485(7) .
C29 C30 1.529(7) .
C30 C35 1.385(6) .
C30 C31 1.386(7) .
C31 C32 1.380(7) .
C32 C33 1.386(8) .
C33 C34 1.388(7) .
C34 C35 1.389(7) .
C34 C36 1.485(7) .
C37 C39 1.49(2) .
C37 O7 1.531(11) .
C38 O7 1.418(11) .
C38 C40 1.47(2) .
C39 C40 1.44(3) .
C41 C42 1.436(13) .
C41 C44 1.477(12) .
C42 C43 1.420(13) .
C43 O8 1.378(10) .
C44 O8 1.438(9) .
C45 C47 1.402(13) .
C45 C46 1.441(13) .
C46 C48 1.457(13) .
C47 O9 1.364(11) .
C48 O9 1.388(10) .
Cl1 O6 1.324(6) .
Cl1 O6 1.324(6) 2_655
Cl1 O5 1.373(8) 2_655
Cl1 O5 1.373(8) .
Cl2 O13 1.462(9) .
Cl2 O13 1.462(9) 7_545
Cl2 O12 1.475(10) 7_545
Cl2 O12 1.475(10) .
Cl2 O11 1.481(9) .
Cl2 O11 1.481(9) 7_545
Cl2 O10 1.491(10) 7_545
Cl2 O10 1.491(10) .
O11 O12 1.52(4) 7_545
O10 O12 1.75(2) .
O12 O13 1.18(3) .
O12 O11 1.52(4) 7_545
