#------------------------------------------------------------------------------
#$Date: 2025-08-22 17:55:42 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/43/7214345.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_7214345
loop_
_publ_author_name
'Hawes, Chris S.'
'Batten, Stuart R.'
'Turner, David R.'
_publ_section_title
;
 Self-assembly of discrete and polymeric metallosupramolecular
 architectures from cyclen-derived ligands
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              3737
_journal_paper_doi               10.1039/c3ce42141d
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C80 H80 Ag2 N16, 2(Cl O4)'
_chemical_formula_sum            'C80 H80 Ag2 Cl2 N16 O8'
_chemical_formula_weight         1680.24
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-08-27
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3620(19)
_cell_length_b                   15.871(3)
_cell_length_c                   25.586(5)
_cell_measurement_temperature    100(2)
_cell_volume                     3776.2(13)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'BluIce (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_measurement_method       '2x Phi Scans'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71080
_diffrn_reflns_av_R_equivalents  0.0898
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            145774
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         29.63
_diffrn_reflns_theta_min         1.51
_diffrn_source                   'Australian Synchrotron'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XScale within XDS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.374
_refine_diff_density_min         -1.206
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         10609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0403
_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)+(0.0661P)²+3.3565P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                9124
_reflns_number_total             10609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42141d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7214345
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C6(H6A,H6B), C9(H9A,H9B), C4(H4A,H4B), C14(H14A,H14B), C7(H7A,
 H7B), C3(H3A,H3B), C32(H32A,H32B), C23(H23A,H23B), C13(H13A,H13B), C10(H10A,
 H10B), C41(H41A,H41B)
2.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C16(H16), C19(H19), C38(H38), C35(H35), C29(H29), C28(H28),
 C25(H25), C26(H26), C34(H34), C17(H17), C37(H37), C47(H47), C46(H46), C43(H43),
  C44(H44)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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 0.743290(17) 0.592475(9) 0.151703(6) 0.02340(6) Uani 1 1 d .
N2 N 0.6477(2) 0.74157(11) 0.15137(7) 0.0253(4) Uani 1 1 d .
N5 N 0.6839(2) 0.62110(12) 0.24330(7) 0.0258(4) Uani 1 1 d .
C24 C 0.4996(3) 0.57912(13) 0.30245(9) 0.0272(4) Uani 1 1 d .
C12 C 0.8729(3) 0.76076(14) 0.10819(9) 0.0291(4) Uani 1 1 d .
H12A H 0.8123 0.7635 0.0738 0.035 Uiso 1 1 calc R
H12B H 0.9534 0.8009 0.1070 0.035 Uiso 1 1 calc R
N11 N 0.9325(2) 0.67429(12) 0.11562(7) 0.0263(4) Uani 1 1 d .
C6 C 0.8055(3) 0.58885(15) 0.27959(9) 0.0310(5) Uani 1 1 d .
H6A H 0.7912 0.5279 0.2855 0.037 Uiso 1 1 calc R
H6B H 0.8070 0.6179 0.3139 0.037 Uiso 1 1 calc R
N8 N 0.9594(2) 0.55546(12) 0.20879(8) 0.0287(4) Uani 1 1 d .
C9 C 1.0808(3) 0.58640(15) 0.18237(10) 0.0314(5) Uani 1 1 d .
H9A H 1.0995 0.5458 0.1546 0.038 Uiso 1 1 calc R
H9B H 1.1678 0.5886 0.2083 0.038 Uiso 1 1 calc R
C27 C 0.4368(3) 0.59516(14) 0.40574(9) 0.0287(4) Uani 1 1 d .
C4 C 0.6697(3) 0.71301(13) 0.24878(9) 0.0281(4) Uani 1 1 d .
H4A H 0.7669 0.7383 0.2544 0.034 Uiso 1 1 calc R
H4B H 0.6211 0.7250 0.2803 0.034 Uiso 1 1 calc R
C20 C 0.4058(3) 0.89292(15) 0.12529(10) 0.0298(4) Uani 1 1 d .
H20 H 0.3500 0.8601 0.1465 0.036 Uiso 1 1 calc R
C33 C 0.9195(3) 0.40923(14) 0.17411(10) 0.0293(5) Uani 1 1 d .
C14 C 0.5422(3) 0.76038(13) 0.10512(9) 0.0280(4) Uani 1 1 d .
H14A H 0.4519 0.7296 0.1088 0.034 Uiso 1 1 calc R
H14B H 0.5803 0.7392 0.0731 0.034 Uiso 1 1 calc R
C16 C 0.5868(3) 0.90213(15) 0.06628(10) 0.0319(5) Uani 1 1 d .
H16 H 0.6541 0.8754 0.0467 0.038 Uiso 1 1 calc R
C7 C 0.9498(3) 0.60179(16) 0.25866(9) 0.0321(5) Uani 1 1 d .
H7A H 0.9641 0.6627 0.2527 0.039 Uiso 1 1 calc R
H7B H 1.0277 0.5825 0.2854 0.039 Uiso 1 1 calc R
C3 C 0.5852(3) 0.75486(14) 0.20113(9) 0.0290(4) Uani 1 1 d .
H3A H 0.4858 0.7326 0.1971 0.035 Uiso 1 1 calc R
H3B H 0.5800 0.8162 0.2078 0.035 Uiso 1 1 calc R
C19 C 0.3847(3) 0.97938(15) 0.12171(10) 0.0304(4) Uani 1 1 d .
H19 H 0.3151 1.0059 0.1404 0.036 Uiso 1 1 calc R
C30 C 0.4089(3) 0.60485(16) 0.45954(10) 0.0339(5) Uani 1 1 d .
C38 C 1.0074(3) 0.37786(15) 0.13810(10) 0.0310(5) Uani 1 1 d .
H38 H 1.1073 0.3903 0.1424 0.037 Uiso 1 1 calc R
C32 C 0.9794(3) 0.46345(15) 0.21995(10) 0.0330(5) Uani 1 1 d .
H32A H 0.9311 0.4486 0.2511 0.040 Uiso 1 1 calc R
H32B H 1.0832 0.4515 0.2284 0.040 Uiso 1 1 calc R
C15 C 0.5082(3) 0.85386(14) 0.09810(9) 0.0274(4) Uani 1 1 d .
C23 C 0.5479(3) 0.57470(14) 0.24812(9) 0.0273(4) Uani 1 1 d .
H23A H 0.5613 0.5148 0.2389 0.033 Uiso 1 1 calc R
H23B H 0.4710 0.5981 0.2224 0.033 Uiso 1 1 calc R
C13 C 0.7836(3) 0.78817(14) 0.15109(9) 0.0278(4) Uani 1 1 d .
H13A H 0.8417 0.7808 0.1857 0.033 Uiso 1 1 calc R
H13B H 0.7616 0.8489 0.1467 0.033 Uiso 1 1 calc R
C35 C 0.7161(3) 0.33711(16) 0.12679(11) 0.0353(5) Uani 1 1 d .
H35 H 0.6172 0.3222 0.1235 0.042 Uiso 1 1 calc R
C10 C 1.0553(3) 0.67337(15) 0.15765(9) 0.0305(5) Uani 1 1 d .
H10A H 1.0367 0.7142 0.1853 0.037 Uiso 1 1 calc R
H10B H 1.1432 0.6916 0.1427 0.037 Uiso 1 1 calc R
C29 C 0.4116(3) 0.64406(13) 0.31641(9) 0.0274(4) Uani 1 1 d .
H29 H 0.3729 0.6832 0.2905 0.033 Uiso 1 1 calc R
C36 C 0.8037(3) 0.30824(15) 0.09033(10) 0.0340(5) Uani 1 1 d .
N22 N 0.4345(3) 1.18831(15) 0.08139(13) 0.0514(7) Uani 1 1 d .
C28 C 0.3795(2) 0.65232(14) 0.36782(9) 0.0276(4) Uani 1 1 d .
H28 H 0.3190 0.6967 0.3770 0.033 Uiso 1 1 calc R
N31 N 0.3873(3) 0.61300(17) 0.50241(10) 0.0443(6) Uani 1 1 d .
C18 C 0.4670(3) 1.02709(14) 0.09033(10) 0.0302(5) Uani 1 1 d .
C25 C 0.5486(3) 0.51971(14) 0.34045(10) 0.0331(5) Uani 1 1 d .
H25 H 0.6031 0.4730 0.3307 0.040 Uiso 1 1 calc R
C26 C 0.5197(3) 0.52725(15) 0.39209(10) 0.0323(5) Uani 1 1 d .
H26 H 0.5556 0.4869 0.4178 0.039 Uiso 1 1 calc R
C21 C 0.4481(3) 1.11695(17) 0.08575(12) 0.0375(5) Uani 1 1 d .
C34 C 0.7737(3) 0.38753(15) 0.16784(11) 0.0323(5) Uani 1 1 d .
H34 H 0.7131 0.4079 0.1924 0.039 Uiso 1 1 calc R
C17 C 0.5684(3) 0.98872(15) 0.06265(10) 0.0328(5) Uani 1 1 d .
H17 H 0.6245 1.0214 0.0415 0.039 Uiso 1 1 calc R
C37 C 0.9500(3) 0.32877(15) 0.09623(10) 0.0329(5) Uani 1 1 d .
H37 H 1.0101 0.3089 0.0714 0.039 Uiso 1 1 calc R
Cl50 Cl 0.37064(6) 0.34826(4) 0.22176(2) 0.03349(12) Uani 1 1 d .
O51 O 0.3345(3) 0.42781(16) 0.19907(14) 0.0741(9) Uani 1 1 d .
O53 O 0.5138(2) 0.34867(13) 0.24798(9) 0.0458(5) Uani 1 1 d .
O54 O 0.2671(3) 0.31772(19) 0.25335(11) 0.0639(7) Uani 1 1 d .
O52 O 0.3692(4) 0.2900(2) 0.17740(12) 0.0805(9) Uani 1 1 d .
C39 C 0.7479(4) 0.2588(2) 0.04519(13) 0.0476(7) Uani 1 1 d .
N40 N 0.7081(4) 0.2233(3) 0.00797(14) 0.0751(10) Uani 1 1 d .
C42 C 0.8609(2) 0.60798(14) 0.02788(9) 0.0258(4) Uani 1 1 d .
C41 C 0.9806(2) 0.64450(15) 0.06574(9) 0.0289(4) Uani 1 1 d .
H41A H 1.0558 0.6011 0.0738 0.035 Uiso 1 1 calc R
H41B H 1.0245 0.6923 0.0485 0.035 Uiso 1 1 calc R
C47 C 0.8313(3) 0.52191(15) 0.03024(9) 0.0304(5) Uani 1 1 d .
H47 H 0.8841 0.4883 0.0565 0.037 Uiso 1 1 calc R
C46 C 0.7265(3) 0.48470(14) -0.00492(9) 0.0300(5) Uani 1 1 d .
H46 H 0.7075 0.4261 -0.0030 0.036 Uiso 1 1 calc R
C43 C 0.7815(3) 0.65670(14) -0.01035(9) 0.0283(4) Uani 1 1 d .
H43 H 0.7995 0.7155 -0.0119 0.034 Uiso 1 1 calc R
C44 C 0.6763(3) 0.62073(14) -0.04615(9) 0.0291(4) Uani 1 1 d .
H44 H 0.6233 0.6544 -0.0723 0.035 Uiso 1 1 calc R
C48 C 0.5393(3) 0.49622(14) -0.07993(9) 0.0291(4) Uani 1 1 d .
C45 C 0.6493(2) 0.53462(14) -0.04327(9) 0.0267(4) Uani 1 1 d .
N49 N 0.4505(2) 0.46572(13) -0.10771(9) 0.0335(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8750 1.0960 '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'
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
N5 Ag1 N2 73.60(6) . .
N11 Ag1 N2 76.98(6) . .
N11 Ag1 N5 120.08(6) . .
N8 Ag1 N2 119.90(6) . .
N8 Ag1 N5 75.00(7) . .
N8 Ag1 N11 76.54(7) . .
N49 Ag1 N2 96.86(7) 3_665 .
N49 Ag1 N5 106.97(8) 3_665 .
N49 Ag1 N11 127.61(7) 3_665 .
N49 Ag1 N8 141.19(7) 3_665 .
C14 N2 Ag1 113.21(12) . .
C3 N2 Ag1 107.81(13) . .
C3 N2 C14 111.46(19) . .
C13 N2 Ag1 99.46(13) . .
C13 N2 C14 113.06(18) . .
C13 N2 C3 111.18(18) . .
C6 N5 Ag1 106.66(14) . .
C6 N5 C23 112.43(18) . .
C4 N5 Ag1 107.47(13) . .
C4 N5 C6 110.82(18) . .
C4 N5 C23 113.23(19) . .
C23 N5 Ag1 105.76(13) . .
C29 C24 C23 121.3(2) . .
C29 C24 C25 118.6(2) . .
C25 C24 C23 120.0(2) . .
H12A C12 H12B 107.7 . .
N11 C12 H12A 108.8 . .
N11 C12 H12B 108.8 . .
N11 C12 C13 113.71(18) . .
C13 C12 H12A 108.8 . .
C13 C12 H12B 108.8 . .
C12 N11 Ag1 105.04(14) . .
C10 N11 Ag1 104.74(13) . .
C10 N11 C12 110.53(18) . .
C41 N11 Ag1 117.35(13) . .
C41 N11 C12 109.40(18) . .
C41 N11 C10 109.59(18) . .
N5 C6 H6A 109.1 . .
N5 C6 H6B 109.1 . .
N5 C6 C7 112.52(19) . .
H6A C6 H6B 107.8 . .
C7 C6 H6A 109.1 . .
C7 C6 H6B 109.1 . .
C9 N8 Ag1 106.07(14) . .
C9 N8 C7 110.88(19) . .
C9 N8 C32 109.10(19) . .
C7 N8 Ag1 105.56(14) . .
C7 N8 C32 109.77(18) . .
C32 N8 Ag1 115.37(14) . .
N8 C9 H9A 108.9 . .
N8 C9 H9B 108.9 . .
N8 C9 C10 113.6(2) . .
H9A C9 H9B 107.7 . .
C10 C9 H9A 108.9 . .
C10 C9 H9B 108.9 . .
C28 C27 C30 120.0(2) . .
C28 C27 C26 120.7(2) . .
C26 C27 C30 119.3(2) . .
N5 C4 H4A 108.9 . .
N5 C4 H4B 108.9 . .
N5 C4 C3 113.52(18) . .
H4A C4 H4B 107.7 . .
C3 C4 H4A 108.9 . .
C3 C4 H4B 108.9 . .
C19 C20 H20 119.7 . .
C19 C20 C15 120.5(2) . .
C15 C20 H20 119.7 . .
C38 C33 C32 121.5(2) . .
C38 C33 C34 118.6(2) . .
C34 C33 C32 119.9(2) . .
N2 C14 H14A 108.8 . .
N2 C14 H14B 108.8 . .
N2 C14 C15 113.67(17) . .
H14A C14 H14B 107.7 . .
C15 C14 H14A 108.8 . .
C15 C14 H14B 108.8 . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C17 C16 C15 121.1(2) . .
C6 C7 H7A 109.1 . .
C6 C7 H7B 109.1 . .
N8 C7 C6 112.3(2) . .
N8 C7 H7A 109.1 . .
N8 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
N2 C3 C4 113.98(19) . .
N2 C3 H3A 108.8 . .
N2 C3 H3B 108.8 . .
C4 C3 H3A 108.8 . .
C4 C3 H3B 108.8 . .
H3A C3 H3B 107.7 . .
C20 C19 H19 120.3 . .
C20 C19 C18 119.3(2) . .
C18 C19 H19 120.3 . .
N31 C30 C27 179.5(3) . .
C33 C38 H38 119.8 . .
C37 C38 C33 120.4(2) . .
C37 C38 H38 119.8 . .
N8 C32 C33 112.42(18) . .
N8 C32 H32A 109.1 . .
N8 C32 H32B 109.1 . .
C33 C32 H32A 109.1 . .
C33 C32 H32B 109.1 . .
H32A C32 H32B 107.9 . .
C20 C15 C14 121.4(2) . .
C16 C15 C20 119.3(2) . .
C16 C15 C14 119.2(2) . .
N5 C23 C24 113.76(18) . .
N5 C23 H23A 108.8 . .
N5 C23 H23B 108.8 . .
C24 C23 H23A 108.8 . .
C24 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
N2 C13 C12 114.07(18) . .
N2 C13 H13A 108.7 . .
N2 C13 H13B 108.7 . .
C12 C13 H13A 108.7 . .
C12 C13 H13B 108.7 . .
H13A C13 H13B 107.6 . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C34 C35 C36 119.5(2) . .
N11 C10 C9 112.41(19) . .
N11 C10 H10A 109.1 . .
N11 C10 H10B 109.1 . .
C9 C10 H10A 109.1 . .
C9 C10 H10B 109.1 . .
H10A C10 H10B 107.9 . .
C24 C29 H29 119.6 . .
C28 C29 C24 120.8(2) . .
C28 C29 H29 119.6 . .
C35 C36 C37 119.8(2) . .
C35 C36 C39 122.0(3) . .
C37 C36 C39 118.2(3) . .
C27 C28 H28 120.3 . .
C29 C28 C27 119.4(2) . .
C29 C28 H28 120.3 . .
C19 C18 C21 120.9(2) . .
C17 C18 C19 120.6(2) . .
C17 C18 C21 118.5(2) . .
C24 C25 H25 119.2 . .
C26 C25 C24 121.5(2) . .
C26 C25 H25 119.2 . .
C27 C26 H26 120.6 . .
C25 C26 C27 118.8(2) . .
C25 C26 H26 120.6 . .
N22 C21 C18 178.8(3) . .
C33 C34 H34 119.3 . .
C35 C34 C33 121.4(2) . .
C35 C34 H34 119.3 . .
C16 C17 C18 119.1(2) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
C38 C37 C36 120.2(2) . .
C38 C37 H37 119.9 . .
C36 C37 H37 119.9 . .
O51 Cl50 O53 110.86(13) . .
O51 Cl50 O54 113.09(18) . .
O51 Cl50 O52 105.4(2) . .
O53 Cl50 O52 106.96(17) . .
O54 Cl50 O53 113.59(15) . .
O54 Cl50 O52 106.29(19) . .
N40 C39 C36 175.9(4) . .
C47 C42 C41 118.9(2) . .
C43 C42 C41 122.3(2) . .
C43 C42 C47 118.7(2) . .
N11 C41 C42 113.51(19) . .
N11 C41 H41A 108.9 . .
N11 C41 H41B 108.9 . .
C42 C41 H41A 108.9 . .
C42 C41 H41B 108.9 . .
H41A C41 H41B 107.7 . .
C42 C47 H47 119.4 . .
C46 C47 C42 121.2(2) . .
C46 C47 H47 119.4 . .
C47 C46 H46 120.5 . .
C47 C46 C45 119.0(2) . .
C45 C46 H46 120.5 . .
C42 C43 H43 119.5 . .
C44 C43 C42 121.0(2) . .
C44 C43 H43 119.5 . .
C43 C44 H44 120.4 . .
C43 C44 C45 119.2(2) . .
C45 C44 H44 120.4 . .
N49 C48 C45 178.2(3) . .
C46 C45 C48 119.3(2) . .
C44 C45 C46 120.8(2) . .
C44 C45 C48 120.0(2) . .
C48 N49 Ag1 171.1(2) . 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.5294(19) .
Ag1 N5 2.512(2) .
Ag1 N11 2.460(2) .
Ag1 N8 2.427(2) .
Ag1 N49 2.223(2) 3_665
N2 C14 1.482(3) .
N2 C3 1.477(3) .
N2 C13 1.472(3) .
N5 C6 1.475(3) .
N5 C4 1.473(3) .
N5 C23 1.488(3) .
C24 C23 1.512(3) .
C24 C29 1.392(3) .
C24 C25 1.394(3) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C12 N11 1.485(3) .
C12 C13 1.518(3) .
N11 C10 1.480(3) .
N11 C41 1.479(3) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.523(4) .
N8 C9 1.472(3) .
N8 C7 1.484(3) .
N8 C32 1.495(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.525(3) .
C27 C30 1.439(3) .
C27 C28 1.390(3) .
C27 C26 1.396(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C4 C3 1.526(3) .
C20 H20 0.9500 .
C20 C19 1.388(3) .
C20 C15 1.393(3) .
C33 C38 1.396(3) .
C33 C32 1.510(4) .
C33 C34 1.399(4) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C14 C15 1.524(3) .
C16 H16 0.9500 .
C16 C15 1.389(3) .
C16 C17 1.387(3) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C19 H19 0.9500 .
C19 C18 1.398(3) .
C30 N31 1.146(4) .
C38 H38 0.9500 .
C38 C37 1.382(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C35 H35 0.9500 .
C35 C36 1.389(4) .
C35 C34 1.380(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C29 H29 0.9500 .
C29 C28 1.389(3) .
C36 C37 1.399(4) .
C36 C39 1.443(4) .
N22 C21 1.144(4) .
C28 H28 0.9500 .
C18 C21 1.440(3) .
C18 C17 1.389(4) .
C25 H25 0.9500 .
C25 C26 1.384(3) .
C26 H26 0.9500 .
C34 H34 0.9500 .
C17 H17 0.9500 .
C37 H37 0.9500 .
Cl50 O51 1.414(2) .
Cl50 O53 1.428(2) .
Cl50 O54 1.417(3) .
Cl50 O52 1.463(3) .
C39 N40 1.132(4) .
C42 C41 1.510(3) .
C42 C47 1.396(3) .
C42 C43 1.393(3) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C47 H47 0.9500 .
C47 C46 1.384(3) .
C46 H46 0.9500 .
C46 C45 1.396(3) .
C43 H43 0.9500 .
C43 C44 1.388(3) .
C44 H44 0.9500 .
C44 C45 1.393(3) .
C48 C45 1.445(3) .
C48 N49 1.137(3) .
N49 Ag1 2.223(2) 3_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Ag1 N2 C14 C15 -167.61(15) . .
Ag1 N2 C3 C4 38.1(2) . .
Ag1 N2 C13 C12 51.83(19) . .
Ag1 N5 C6 C7 36.2(2) . .
Ag1 N5 C4 C3 43.3(2) . .
Ag1 N5 C23 C24 175.85(15) . .
Ag1 N11 C10 C9 43.8(2) . .
Ag1 N11 C41 C42 36.1(2) . .
Ag1 N8 C9 C10 41.6(2) . .
Ag1 N8 C7 C6 50.3(2) . .
Ag1 N8 C32 C33 32.8(3) . .
N2 Ag1 N5 C6 -135.42(15) . .
N2 Ag1 N5 C4 -16.53(14) . .
N2 Ag1 N5 C23 104.70(14) . .
N2 Ag1 N11 C12 -7.07(13) . .
N2 Ag1 N11 C10 109.44(14) . .
N2 Ag1 N11 C41 -128.81(16) . .
N2 Ag1 N8 C9 -78.92(15) . .
N2 Ag1 N8 C7 38.81(17) . .
N2 Ag1 N8 C32 160.18(15) . .
N2 C14 C15 C20 -83.8(3) . .
N2 C14 C15 C16 92.4(3) . .
N5 Ag1 N2 C14 -134.78(16) . .
N5 Ag1 N2 C3 -11.00(14) . .
N5 Ag1 N2 C13 104.98(13) . .
N5 Ag1 N11 C12 -69.11(14) . .
N5 Ag1 N11 C10 47.39(16) . .
N5 Ag1 N11 C41 169.15(14) . .
N5 Ag1 N8 C9 -139.49(15) . .
N5 Ag1 N8 C7 -21.77(14) . .
N5 Ag1 N8 C32 99.61(17) . .
N5 C6 C7 N8 -62.4(3) . .
N5 C4 C3 N2 -58.7(3) . .
C24 C29 C28 C27 0.3(3) . .
C24 C25 C26 C27 1.4(4) . .
C12 N11 C10 C9 156.5(2) . .
C12 N11 C41 C42 -83.4(2) . .
N11 Ag1 N2 C14 98.05(15) . .
N11 Ag1 N2 C3 -138.18(15) . .
N11 Ag1 N2 C13 -22.19(12) . .
N11 Ag1 N5 C6 -71.64(15) . .
N11 Ag1 N5 C4 47.25(16) . .
N11 Ag1 N5 C23 168.48(12) . .
N11 Ag1 N8 C9 -12.79(14) . .
N11 Ag1 N8 C7 104.93(15) . .
N11 Ag1 N8 C32 -133.69(17) . .
N11 C12 C13 N2 -67.7(3) . .
C6 N5 C4 C3 159.5(2) . .
C6 N5 C23 C24 59.8(2) . .
N8 Ag1 N2 C14 163.94(14) . .
N8 Ag1 N2 C3 -72.29(16) . .
N8 Ag1 N2 C13 43.70(14) . .
N8 Ag1 N5 C6 -7.34(13) . .
N8 Ag1 N5 C4 111.55(15) . .
N8 Ag1 N5 C23 -127.22(14) . .
N8 Ag1 N11 C12 -132.61(14) . .
N8 Ag1 N11 C10 -16.11(14) . .
N8 Ag1 N11 C41 105.65(16) . .
N8 C9 C10 N11 -62.5(3) . .
C9 N8 C7 C6 164.77(19) . .
C9 N8 C32 C33 -86.4(2) . .
C4 N5 C6 C7 -80.5(2) . .
C4 N5 C23 C24 -66.7(2) . .
C20 C19 C18 C21 -179.9(2) . .
C20 C19 C18 C17 0.4(4) . .
C33 C38 C37 C36 -1.7(4) . .
C14 N2 C3 C4 162.94(18) . .
C14 N2 C13 C12 -68.5(2) . .
C7 N8 C9 C10 -72.6(2) . .
C7 N8 C32 C33 151.9(2) . .
C3 N2 C14 C15 70.6(2) . .
C3 N2 C13 C12 165.23(18) . .
C19 C20 C15 C14 174.7(2) . .
C19 C20 C15 C16 -1.5(4) . .
C19 C18 C21 N22 -167(100) . .
C19 C18 C17 C16 0.3(4) . .
C30 C27 C28 C29 177.7(2) . .
C30 C27 C26 C25 -178.5(2) . .
C38 C33 C32 N8 96.8(3) . .
C38 C33 C34 C35 -0.8(3) . .
C32 N8 C9 C10 166.42(19) . .
C32 N8 C7 C6 -74.6(2) . .
C32 C33 C38 C37 -179.6(2) . .
C32 C33 C34 C35 -179.1(2) . .
C15 C20 C19 C18 0.2(4) . .
C15 C16 C17 C18 -1.7(4) . .
C23 N5 C6 C7 151.66(19) . .
C23 N5 C4 C3 -73.1(2) . .
C23 C24 C29 C28 -173.5(2) . .
C23 C24 C25 C26 172.7(2) . .
C13 N2 C14 C15 -55.5(3) . .
C13 N2 C3 C4 -69.9(2) . .
C13 C12 N11 Ag1 37.1(2) . .
C13 C12 N11 C10 -75.3(2) . .
C13 C12 N11 C41 163.94(19) . .
C35 C36 C37 C38 -0.2(4) . .
C35 C36 C39 N40 129(6) . .
C10 N11 C41 C42 155.30(19) . .
C29 C24 C23 N5 88.8(3) . .
C29 C24 C25 C26 -4.4(4) . .
C36 C35 C34 C33 -1.1(4) . .
C28 C27 C30 N31 -77(48) . .
C28 C27 C26 C25 2.6(4) . .
C25 C24 C23 N5 -88.2(3) . .
C25 C24 C29 C28 3.5(4) . .
C26 C27 C30 N31 104(48) . .
C26 C27 C28 C29 -3.4(4) . .
C21 C18 C17 C16 -179.4(2) . .
C34 C33 C38 C37 2.1(3) . .
C34 C33 C32 N8 -84.9(3) . .
C34 C35 C36 C37 1.5(4) . .
C34 C35 C36 C39 -176.9(2) . .
C17 C16 C15 C20 2.3(4) . .
C17 C16 C15 C14 -174.0(2) . .
C17 C18 C21 N22 13(19) . .
C37 C36 C39 N40 -49(6) . .
C39 C36 C37 C38 178.3(2) . .
C42 C47 C46 C45 -0.1(4) . .
C42 C43 C44 C45 0.6(4) . .
C41 N11 C10 C9 -82.9(2) . .
C41 C42 C47 C46 -177.4(2) . .
C41 C42 C43 C44 177.1(2) . .
C47 C42 C41 N11 -90.0(3) . .
C47 C42 C43 C44 -1.1(4) . .
C47 C46 C45 C44 -0.3(4) . .
C47 C46 C45 C48 -179.7(2) . .
C43 C42 C41 N11 91.8(3) . .
C43 C42 C47 C46 0.8(4) . .
C43 C44 C45 C46 0.1(4) . .
C43 C44 C45 C48 179.4(2) . .
C45 C48 N49 Ag1 10(9) . 3_665
N49 Ag1 N2 C14 -29.04(16) 3_665 .
N49 Ag1 N2 C3 94.73(15) 3_665 .
N49 Ag1 N2 C13 -149.28(13) 3_665 .
N49 Ag1 N5 C6 132.27(14) 3_665 .
N49 Ag1 N5 C4 -108.84(15) 3_665 .
N49 Ag1 N5 C23 12.39(15) 3_665 .
N49 Ag1 N11 C12 81.59(15) 3_665 .
N49 Ag1 N11 C10 -161.91(14) 3_665 .
N49 Ag1 N11 C41 -40.15(18) 3_665 .
N49 Ag1 N8 C9 121.93(16) 3_665 .
N49 Ag1 N8 C7 -120.34(16) 3_665 .
N49 Ag1 N8 C32 1.0(2) 3_665 .
N49 C48 C45 C46 70(8) . .
N49 C48 C45 C44 -110(8) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139198120
