#------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/20/23/7202341.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_7202341
loop_
_publ_author_name
'Chandran, Sreekanth K.'
'Thakuria, Ranjit'
'Nangia, Ashwini'
_publ_section_title
;
 Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas.
 Isostructurality, urea⋯nitrate hydrogen bonding, and
 Ag⋯halogen interaction
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1891
_journal_paper_doi               10.1039/b810549a
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         '(C48 H40 Ag2 I4 N12 O4), 2(C2 H3 N), 2(N O3)'
_chemical_formula_sum            'C26 H23 Ag I2 N8 O5'
_chemical_formula_weight         889.19
_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                107.8060(10)
_cell_angle_beta                 105.0930(10)
_cell_angle_gamma                106.9840(10)
_cell_formula_units_Z            4
_cell_length_a                   13.2760(10)
_cell_length_b                   15.0546(12)
_cell_length_c                   17.5415(14)
_cell_measurement_reflns_used    6541
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.22
_cell_volume                     2947.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30708
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    2.830
_exptl_absorpt_correction_T_max  0.8053
_exptl_absorpt_correction_T_min  0.5046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXS SADABS program'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.247
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         11524
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0402P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0863
_reflns_number_gt                8653
_reflns_number_total             11524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B810549A.txt
_cod_data_source_block           iodo
_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_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7202341
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 1.30123(3) 0.86748(3) 1.18852(2) 0.02219(9) Uani 1 1 d . . .
Ag2 Ag 0.66775(3) 0.62971(3) 0.27719(2) 0.02282(9) Uani 1 1 d . . .
C1 C 1.7406(4) 0.8522(3) 1.8939(3) 0.0202(10) Uani 1 1 d . . .
C2 C 1.6451(4) 0.8670(3) 1.9011(3) 0.0196(10) Uani 1 1 d . . .
H2A H 1.6294 0.8716 1.9517 0.024 Uiso 1 1 calc R . .
C3 C 1.5722(4) 0.8751(3) 1.8328(3) 0.0181(10) Uani 1 1 d . . .
H3 H 1.5062 0.8854 1.8367 0.022 Uiso 1 1 calc R . .
C4 C 1.5955(4) 0.8682(3) 1.7593(3) 0.0186(10) Uani 1 1 d . . .
C5 C 1.6919(4) 0.8536(4) 1.7529(3) 0.0256(11) Uani 1 1 d . . .
H5A H 1.7076 0.8491 1.7023 0.031 Uiso 1 1 calc R . .
C6 C 1.7653(4) 0.8454(4) 1.8205(3) 0.0262(11) Uani 1 1 d . . .
H6A H 1.8315 0.8353 1.8166 0.031 Uiso 1 1 calc R . .
C7 C 1.5128(4) 0.8627(3) 1.6125(3) 0.0197(10) Uani 1 1 d . . .
C8 C 1.3997(3) 0.8770(3) 1.4835(3) 0.0184(10) Uani 1 1 d . . .
C9 C 1.3270(4) 0.9217(3) 1.4545(3) 0.0247(11) Uani 1 1 d . . .
H9 H 1.2988 0.9573 1.4927 0.030 Uiso 1 1 calc R . .
C10 C 1.2969(4) 0.9140(3) 1.3716(3) 0.0241(11) Uani 1 1 d . . .
H10 H 1.2479 0.9451 1.3536 0.029 Uiso 1 1 calc R . .
C11 C 1.3994(4) 0.8192(3) 1.3406(3) 0.0229(10) Uani 1 1 d . . .
H11A H 1.4242 0.7824 1.3004 0.027 Uiso 1 1 calc R . .
C12 C 1.4338(4) 0.8227(3) 1.4230(3) 0.0203(10) Uani 1 1 d . . .
H12A H 1.4803 0.7885 1.4383 0.024 Uiso 1 1 calc R . .
C13 C 1.1705(4) 0.8827(3) 1.0275(3) 0.0230(11) Uani 1 1 d . . .
H13 H 1.1199 0.8836 1.0571 0.028 Uiso 1 1 calc R . .
C14 C 1.1369(4) 0.8851(3) 0.9471(3) 0.0212(10) Uani 1 1 d . . .
H14 H 1.0655 0.8875 0.9224 0.025 Uiso 1 1 calc R . .
C15 C 1.2106(4) 0.8839(3) 0.9031(3) 0.0195(10) Uani 1 1 d . . .
C16 C 1.3144(4) 0.8816(3) 0.9441(3) 0.0218(10) Uani 1 1 d . . .
H16 H 1.3675 0.8821 0.9167 0.026 Uiso 1 1 calc R . .
C17 C 1.3400(4) 0.8786(3) 1.0244(3) 0.0216(10) Uani 1 1 d . . .
H17 H 1.4107 0.8760 1.0507 0.026 Uiso 1 1 calc R . .
C18 C 1.0865(4) 0.8791(3) 0.7682(3) 0.0205(10) Uani 1 1 d . . .
C19 C 1.0088(4) 0.8832(3) 0.6246(3) 0.0198(10) Uani 1 1 d . . .
C20 C 0.9053(4) 0.8852(3) 0.6267(3) 0.0220(10) Uani 1 1 d . . .
H20 H 0.8896 0.8889 0.6772 0.026 Uiso 1 1 calc R . .
C21 C 0.8253(4) 0.8819(3) 0.5561(3) 0.0209(10) Uani 1 1 d . . .
H21 H 0.7553 0.8840 0.5584 0.025 Uiso 1 1 calc R . .
C22 C 0.8471(4) 0.8754(3) 0.4817(3) 0.0197(10) Uani 1 1 d . . .
C23 C 0.9498(4) 0.8736(3) 0.4782(3) 0.0208(10) Uani 1 1 d . . .
H23 H 0.9651 0.8700 0.4276 0.025 Uiso 1 1 calc R . .
C24 C 1.0298(4) 0.8772(3) 0.5493(3) 0.0189(10) Uani 1 1 d . . .
H24 H 1.0999 0.8755 0.5469 0.023 Uiso 1 1 calc R . .
C25 C 1.1305(4) 0.6236(3) 0.9824(3) 0.0175(9) Uani 1 1 d . . .
C26 C 1.0258(4) 0.6197(3) 0.9849(3) 0.0208(10) Uani 1 1 d . . .
H26 H 1.0080 0.6165 1.0333 0.025 Uiso 1 1 calc R . .
C27 C 0.9477(4) 0.6206(3) 0.9158(3) 0.0227(10) Uani 1 1 d . . .
H27 H 0.8753 0.6172 0.9163 0.027 Uiso 1 1 calc R . .
C28 C 0.9748(3) 0.6266(3) 0.8449(3) 0.0173(10) Uani 1 1 d . . .
C29 C 1.0798(4) 0.6289(3) 0.8438(3) 0.0202(10) Uani 1 1 d . . .
H29 H 1.0976 0.6310 0.7952 0.024 Uiso 1 1 calc R . .
C30 C 1.1585(4) 0.6281(3) 0.9126(3) 0.0205(10) Uani 1 1 d . . .
H30 H 1.2307 0.6306 0.9120 0.025 Uiso 1 1 calc R . .
C31 C 0.8962(4) 0.6328(3) 0.7024(3) 0.0216(10) Uani 1 1 d . . .
C32 C 0.7680(4) 0.6240(3) 0.5670(3) 0.0178(10) Uani 1 1 d . . .
C33 C 0.6642(4) 0.6288(3) 0.5272(3) 0.0220(10) Uani 1 1 d . . .
H33 H 0.6137 0.6331 0.5566 0.026 Uiso 1 1 calc R . .
C34 C 0.6364(4) 0.6274(3) 0.4459(3) 0.0229(10) Uani 1 1 d . . .
H34 H 0.5659 0.6307 0.4202 0.028 Uiso 1 1 calc R . .
C35 C 0.8023(4) 0.6169(3) 0.4387(3) 0.0210(10) Uani 1 1 d . . .
H35 H 0.8509 0.6124 0.4077 0.025 Uiso 1 1 calc R . .
C36 C 0.8373(4) 0.6184(3) 0.5203(3) 0.0185(10) Uani 1 1 d . . .
H36 H 0.9086 0.6157 0.5445 0.022 Uiso 1 1 calc R . .
C37 C 0.5733(4) 0.6835(3) 0.1267(3) 0.0223(10) Uani 1 1 d . . .
H37 H 0.5510 0.7220 0.1679 0.027 Uiso 1 1 calc R . .
C38 C 0.5423(4) 0.6837(3) 0.0460(3) 0.0196(10) Uani 1 1 d . . .
H38 H 0.4987 0.7206 0.0318 0.024 Uiso 1 1 calc R . .
C39 C 0.5757(3) 0.6290(3) -0.0151(3) 0.0178(10) Uani 1 1 d . . .
C40 C 0.6417(4) 0.5787(3) 0.0113(3) 0.0196(10) Uani 1 1 d . . .
H40 H 0.6685 0.5423 -0.0275 0.024 Uiso 1 1 calc R . .
C41 C 0.6681(4) 0.5820(3) 0.0936(3) 0.0216(10) Uani 1 1 d . . .
H41 H 0.7128 0.5469 0.1100 0.026 Uiso 1 1 calc R . .
C42 C 0.4651(4) 0.6446(3) -0.1439(3) 0.0177(10) Uani 1 1 d . . .
C43 C 0.3832(4) 0.6351(3) -0.2924(3) 0.0186(10) Uani 1 1 d . . .
C44 C 0.2860(4) 0.6508(4) -0.2882(3) 0.0253(11) Uani 1 1 d . . .
H44 H 0.2694 0.6570 -0.2377 0.030 Uiso 1 1 calc R . .
C45 C 0.2139(4) 0.6574(4) -0.3564(3) 0.0259(11) Uani 1 1 d . . .
H45 H 0.1482 0.6687 -0.3526 0.031 Uiso 1 1 calc R . .
C46 C 0.2363(4) 0.6478(3) -0.4304(3) 0.0221(10) Uani 1 1 d . . .
C47 C 0.3334(3) 0.6325(3) -0.4362(3) 0.0195(10) Uani 1 1 d . . .
H47 H 0.3494 0.6264 -0.4868 0.023 Uiso 1 1 calc R . .
C48 C 0.4058(4) 0.6264(3) -0.3672(3) 0.0197(10) Uani 1 1 d . . .
H48 H 0.4720 0.6162 -0.3707 0.024 Uiso 1 1 calc R . .
C49 C -0.0202(4) 0.6423(4) 0.2585(3) 0.0292(12) Uani 1 1 d . . .
C50 C 0.0742(4) 0.6373(4) 0.2326(3) 0.0325(12) Uani 1 1 d . . .
H50A H 0.1081 0.6983 0.2233 0.049 Uiso 1 1 calc R . .
H50B H 0.0462 0.5764 0.1787 0.049 Uiso 1 1 calc R . .
H50C H 0.1319 0.6339 0.2783 0.049 Uiso 1 1 calc R . .
C51 C 0.9881(4) 0.8503(4) 0.2010(3) 0.0313(12) Uani 1 1 d . . .
C52 C 0.8916(4) 0.8542(4) 0.2237(3) 0.0334(12) Uani 1 1 d . . .
H52A H 0.8576 0.7938 0.2336 0.050 Uiso 1 1 calc R . .
H52B H 0.8346 0.8559 0.1763 0.050 Uiso 1 1 calc R . .
H52C H 0.9172 0.9158 0.2766 0.050 Uiso 1 1 calc R . .
H1 H 1.479(4) 0.896(4) 1.705(3) 0.027 Uiso 1 1 d . . .
H2 H 1.404(4) 0.918(4) 1.600(3) 0.027 Uiso 1 1 d . . .
H5 H 1.237(4) 0.899(4) 0.803(3) 0.027 Uiso 1 1 d . . .
H6 H 1.159(4) 0.899(4) 0.694(3) 0.027 Uiso 1 1 d . . .
H7 H 0.830(4) 0.618(4) 0.783(3) 0.027 Uiso 1 1 d . . .
H8 H 0.743(4) 0.610(4) 0.669(3) 0.027 Uiso 1 1 d . . .
H11 H 0.569(4) 0.580(4) -0.136(3) 0.027 Uiso 1 1 d . . .
H12 H 0.502(4) 0.600(4) -0.244(3) 0.027 Uiso 1 1 d . . .
I1 I 1.85370(3) 0.84221(3) 1.99700(2) 0.02834(9) Uani 1 1 d . . .
I2 I 0.72394(2) 0.87059(2) 0.375568(18) 0.02165(8) Uani 1 1 d . . .
I3 I 1.25254(2) 0.62626(2) 1.089495(19) 0.02067(8) Uani 1 1 d . . .
I4 I 0.12261(3) 0.65168(3) -0.53565(2) 0.03019(9) Uani 1 1 d . . .
N1 N 1.5196(3) 0.8804(3) 1.6948(3) 0.0200(9) Uani 1 1 d . . .
N2 N 1.4307(3) 0.8887(3) 1.5690(2) 0.0221(9) Uani 1 1 d . . .
N3 N 1.3331(3) 0.8645(3) 1.3138(2) 0.0211(8) Uani 1 1 d . . .
N4 N 1.2695(3) 0.8791(3) 1.0671(2) 0.0194(8) Uani 1 1 d . . .
N5 N 1.1873(3) 0.8844(3) 0.8220(3) 0.0230(9) Uani 1 1 d . . .
N6 N 1.0943(3) 0.8872(3) 0.6938(2) 0.0217(9) Uani 1 1 d . . .
N7 N 0.8905(3) 0.6280(3) 0.7780(2) 0.0196(9) Uani 1 1 d . . .
N8 N 0.7934(3) 0.6243(3) 0.6491(2) 0.0217(9) Uani 1 1 d . . .
N9 N 0.7030(3) 0.6215(3) 0.4004(2) 0.0207(8) Uani 1 1 d . . .
N10 N 0.6337(3) 0.6320(3) 0.1512(2) 0.0194(8) Uani 1 1 d . . .
N11 N 0.5486(3) 0.6207(3) -0.0990(2) 0.0203(9) Uani 1 1 d . . .
N12 N 0.4591(3) 0.6227(3) -0.2274(2) 0.0190(9) Uani 1 1 d . . .
N13 N 0.6058(3) 0.9683(3) 0.2268(3) 0.0235(9) Uani 1 1 d . . .
N14 N 0.3749(3) 0.5232(3) 0.2635(2) 0.0212(9) Uani 1 1 d . . .
N15 N -0.0935(4) 0.6475(4) 0.2793(3) 0.0419(12) Uani 1 1 d . . .
N16 N 1.0641(4) 0.8471(4) 0.1840(3) 0.0456(13) Uani 1 1 d . . .
O1 O 1.5728(3) 0.8299(2) 1.5805(2) 0.0254(7) Uani 1 1 d . . .
O2 O 1.0015(3) 0.8703(3) 0.7845(2) 0.0269(8) Uani 1 1 d . . .
O3 O 0.9801(3) 0.6448(3) 0.6846(2) 0.0257(8) Uani 1 1 d . . .
O4 O 0.4074(3) 0.6809(2) -0.11237(19) 0.0247(7) Uani 1 1 d . . .
O5 O 0.6603(3) 1.0628(3) 0.2731(2) 0.0366(9) Uani 1 1 d . . .
O6 O 0.6131(3) 0.9323(3) 0.1566(3) 0.0576(12) Uani 1 1 d . . .
O7 O 0.5456(3) 0.9140(3) 0.2520(3) 0.0440(10) Uani 1 1 d . . .
O8 O 0.4173(3) 0.5548(3) 0.2156(2) 0.0326(8) Uani 1 1 d . . .
O9 O 0.3522(3) 0.5773(3) 0.3179(2) 0.0415(10) Uani 1 1 d . . .
O10 O 0.3547(3) 0.4315(2) 0.2535(2) 0.0289(8) 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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
N4 Ag1 N3 176.63(14) . . ?
N9 Ag2 N10 177.46(14) . . ?
N9 Ag2 I2 88.36(10) . . ?
N10 Ag2 I2 94.00(10) . . ?
C2 C1 C6 121.6(4) . . ?
C2 C1 I1 119.4(3) . . ?
C6 C1 I1 119.0(3) . . ?
C1 C2 C3 118.7(4) . . ?
C1 C2 H2A 120.7 . . ?
C3 C2 H2A 120.7 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 N1 116.6(4) . . ?
C5 C4 N1 123.0(4) . . ?
C4 C5 C6 119.9(4) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C1 119.1(4) . . ?
C5 C6 H6A 120.4 . . ?
C1 C6 H6A 120.4 . . ?
O1 C7 N1 124.7(4) . . ?
O1 C7 N2 123.4(4) . . ?
N1 C7 N2 111.9(4) . . ?
N2 C8 C12 124.9(4) . . ?
N2 C8 C9 118.3(4) . . ?
C12 C8 C9 116.8(4) . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
N3 C10 C9 123.3(4) . . ?
N3 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N3 C11 C12 124.1(4) . . ?
N3 C11 H11A 118.0 . . ?
C12 C11 H11A 118.0 . . ?
C11 C12 C8 119.1(4) . . ?
C11 C12 H12A 120.4 . . ?
C8 C12 H12A 120.4 . . ?
N4 C13 C14 124.8(4) . . ?
N4 C13 H13 117.6 . . ?
C14 C13 H13 117.6 . . ?
C13 C14 C15 118.2(4) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 H14 120.9 . . ?
N5 C15 C16 118.1(4) . . ?
N5 C15 C14 124.4(4) . . ?
C16 C15 C14 117.6(4) . . ?
C17 C16 C15 119.9(4) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
N4 C17 C16 123.0(4) . . ?
N4 C17 H17 118.5 . . ?
C16 C17 H17 118.5 . . ?
O2 C18 N6 123.3(4) . . ?
O2 C18 N5 124.9(4) . . ?
N6 C18 N5 111.7(4) . . ?
C20 C19 C24 118.7(4) . . ?
C20 C19 N6 123.8(4) . . ?
C24 C19 N6 117.5(4) . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.0(4) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.4(4) . . ?
C23 C22 I2 120.4(3) . . ?
C21 C22 I2 119.2(3) . . ?
C24 C23 C22 119.2(4) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C19 121.1(4) . . ?
C23 C24 H24 119.5 . . ?
C19 C24 H24 119.5 . . ?
C30 C25 C26 121.8(4) . . ?
C30 C25 I3 119.0(3) . . ?
C26 C25 I3 119.2(3) . . ?
C27 C26 C25 118.9(4) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C26 C27 C28 120.3(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 119.3(4) . . ?
C29 C28 N7 124.3(4) . . ?
C27 C28 N7 116.3(4) . . ?
C30 C29 C28 120.8(4) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C25 118.8(4) . . ?
C29 C30 H30 120.6 . . ?
C25 C30 H30 120.6 . . ?
O3 C31 N7 125.1(4) . . ?
O3 C31 N8 124.1(4) . . ?
N7 C31 N8 110.9(4) . . ?
C36 C32 N8 124.7(4) . . ?
C36 C32 C33 116.9(4) . . ?
N8 C32 C33 118.4(4) . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
N9 C34 C33 123.7(4) . . ?
N9 C34 H34 118.1 . . ?
C33 C34 H34 118.1 . . ?
N9 C35 C36 123.7(4) . . ?
N9 C35 H35 118.2 . . ?
C36 C35 H35 118.2 . . ?
C35 C36 C32 119.6(4) . . ?
C35 C36 H36 120.2 . . ?
C32 C36 H36 120.2 . . ?
N10 C37 C38 123.9(4) . . ?
N10 C37 H37 118.0 . . ?
C38 C37 H37 118.0 . . ?
C37 C38 C39 119.0(4) . . ?
C37 C38 H38 120.5 . . ?
C39 C38 H38 120.5 . . ?
N11 C39 C38 125.1(4) . . ?
N11 C39 C40 117.8(4) . . ?
C38 C39 C40 117.1(4) . . ?
C41 C40 C39 120.0(4) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
N10 C41 C40 123.0(4) . . ?
N10 C41 H41 118.5 . . ?
C40 C41 H41 118.5 . . ?
O4 C42 N12 125.6(4) . . ?
O4 C42 N11 123.9(4) . . ?
N12 C42 N11 110.5(4) . . ?
C44 C43 C48 118.6(4) . . ?
C44 C43 N12 124.6(4) . . ?
C48 C43 N12 116.8(4) . . ?
C45 C44 C43 120.6(4) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C44 C45 C46 120.4(4) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C45 C46 C47 120.3(4) . . ?
C45 C46 I4 120.1(3) . . ?
C47 C46 I4 119.7(3) . . ?
C48 C47 C46 119.1(4) . . ?
C48 C47 H47 120.5 . . ?
C46 C47 H47 120.5 . . ?
C47 C48 C43 121.1(4) . . ?
C47 C48 H48 119.4 . . ?
C43 C48 H48 119.4 . . ?
N15 C49 C50 179.1(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N16 C51 C52 179.3(6) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C22 I2 Ag2 87.88(12) . . ?
C7 N1 C4 128.3(4) . . ?
C7 N1 H1 114(4) . . ?
C4 N1 H1 117(4) . . ?
C7 N2 C8 126.6(4) . . ?
C7 N2 H2 114(3) . . ?
C8 N2 H2 120(3) . . ?
C11 N3 C10 116.7(4) . . ?
C11 N3 Ag1 120.2(3) . . ?
C10 N3 Ag1 122.9(3) . . ?
C13 N4 C17 116.5(4) . . ?
C13 N4 Ag1 118.9(3) . . ?
C17 N4 Ag1 124.5(3) . . ?
C15 N5 C18 126.9(4) . . ?
C15 N5 H5 122(3) . . ?
C18 N5 H5 110(3) . . ?
C18 N6 C19 127.4(4) . . ?
C18 N6 H6 113(3) . . ?
C19 N6 H6 120(3) . . ?
C31 N7 C28 127.3(4) . . ?
C31 N7 H7 118(3) . . ?
C28 N7 H7 115(3) . . ?
C31 N8 C32 126.5(4) . . ?
C31 N8 H8 112(3) . . ?
C32 N8 H8 121(3) . . ?
C34 N9 C35 116.5(4) . . ?
C34 N9 Ag2 124.6(3) . . ?
C35 N9 Ag2 118.7(3) . . ?
C41 N10 C37 117.0(4) . . ?
C41 N10 Ag2 122.6(3) . . ?
C37 N10 Ag2 120.4(3) . . ?
C39 N11 C42 126.8(4) . . ?
C39 N11 H11 120(3) . . ?
C42 N11 H11 111(3) . . ?
C42 N12 C43 126.6(4) . . ?
C42 N12 H12 120(3) . . ?
C43 N12 H12 113(3) . . ?
O6 N13 O7 121.2(4) . . ?
O6 N13 O5 118.7(4) . . ?
O7 N13 O5 120.0(4) . . ?
O9 N14 O8 121.9(4) . . ?
O9 N14 O10 119.8(4) . . ?
O8 N14 O10 118.3(4) . . ?
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 N4 2.133(4) . ?
Ag1 N3 2.143(4) . ?
Ag2 N9 2.139(4) . ?
Ag2 N10 2.151(4) . ?
Ag2 I2 3.2567(5) . ?
C1 C2 1.381(6) . ?
C1 C6 1.390(6) . ?
C1 I1 2.105(4) . ?
C2 C3 1.394(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.384(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(6) . ?
C4 N1 1.404(6) . ?
C5 C6 1.388(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 O1 1.219(5) . ?
C7 N1 1.359(6) . ?
C7 N2 1.387(6) . ?
C8 N2 1.388(5) . ?
C8 C12 1.392(6) . ?
C8 C9 1.406(6) . ?
C9 C10 1.363(6) . ?
C9 H9 0.9500 . ?
C10 N3 1.347(5) . ?
C10 H10 0.9500 . ?
C11 N3 1.339(6) . ?
C11 C12 1.377(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 N4 1.341(6) . ?
C13 C14 1.380(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.396(6) . ?
C14 H14 0.9500 . ?
C15 N5 1.378(6) . ?
C15 C16 1.395(6) . ?
C16 C17 1.379(6) . ?
C16 H16 0.9500 . ?
C17 N4 1.342(5) . ?
C17 H17 0.9500 . ?
C18 O2 1.215(5) . ?
C18 N6 1.375(6) . ?
C18 N5 1.386(6) . ?
C19 C20 1.392(6) . ?
C19 C24 1.401(6) . ?
C19 N6 1.402(5) . ?
C20 C21 1.383(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(6) . ?
C22 I2 2.100(4) . ?
C23 C24 1.386(6) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.383(6) . ?
C25 C26 1.388(6) . ?
C25 I3 2.119(4) . ?
C26 C27 1.380(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.403(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.389(6) . ?
C28 N7 1.406(5) . ?
C29 C30 1.381(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 O3 1.212(5) . ?
C31 N7 1.370(6) . ?
C31 N8 1.383(5) . ?
C32 C36 1.387(6) . ?
C32 N8 1.389(5) . ?
C32 C33 1.408(6) . ?
C33 C34 1.369(6) . ?
C33 H33 0.9500 . ?
C34 N9 1.340(5) . ?
C34 H34 0.9500 . ?
C35 N9 1.348(5) . ?
C35 C36 1.375(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 N10 1.348(6) . ?
C37 C38 1.369(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.394(6) . ?
C38 H38 0.9500 . ?
C39 N11 1.378(5) . ?
C39 C40 1.395(6) . ?
C40 C41 1.374(6) . ?
C40 H40 0.9500 . ?
C41 N10 1.332(5) . ?
C41 H41 0.9500 . ?
C42 O4 1.214(5) . ?
C42 N12 1.374(5) . ?
C42 N11 1.389(5) . ?
C43 C44 1.394(6) . ?
C43 C48 1.398(6) . ?
C43 N12 1.410(5) . ?
C44 C45 1.376(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.380(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.397(6) . ?
C46 I4 2.088(4) . ?
C47 C48 1.382(6) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 N15 1.140(6) . ?
C49 C50 1.453(7) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 N16 1.133(6) . ?
C51 C52 1.450(7) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
N1 H1 0.69(5) . ?
N2 H2 0.82(5) . ?
N5 H5 0.82(5) . ?
N6 H6 0.82(5) . ?
N7 H7 0.81(5) . ?
N8 H8 0.84(5) . ?
N11 H11 0.91(5) . ?
N12 H12 0.81(5) . ?
N13 O6 1.226(5) . ?
N13 O7 1.235(5) . ?
N13 O5 1.262(5) . ?
N14 O9 1.219(4) . ?
N14 O8 1.258(5) . ?
N14 O10 1.272(5) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139194767
