#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/23/7202344.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_7202344
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
'(C26 H25 Ag N7 O2) (C24 H22 Ag N6 O2) 2(N O3)'
_chemical_formula_sum            'C50 H47 Ag2 N15 O10'
_chemical_formula_weight         1233.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.6250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.4555(12)
_cell_length_b                   25.7212(16)
_cell_length_c                   10.2172(6)
_cell_measurement_reflns_used    9179
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.19
_cell_volume                     4989.3(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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            47673
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.8466
_exptl_absorpt_correction_T_min  0.7137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXS SADABS program'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         8789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0398P)²+4.2437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                7602
_reflns_number_total             8789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B810549A.txt
_cod_data_source_block           6_protio
_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 2.4.1 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 2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/c '
_cod_database_code               7202344
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.310726(10) 0.534781(8) 0.85901(2) 0.02877(7) Uani 1 1 d . . .
Ag2 Ag 0.181217(11) 0.277419(9) 0.13427(2) 0.03353(7) Uani 1 1 d . . .
C1 C 0.72062(14) 0.48233(12) 1.7610(3) 0.0318(6) Uani 1 1 d . . .
H1A H 0.7221 0.5192 1.7676 0.038 Uiso 1 1 calc R . .
C2 C 0.76328(15) 0.45230(13) 1.8586(3) 0.0408(7) Uani 1 1 d . . .
H2A H 0.7936 0.4687 1.9325 0.049 Uiso 1 1 calc R . .
C3 C 0.76224(16) 0.39898(14) 1.8497(3) 0.0446(8) Uani 1 1 d . . .
H3A H 0.7924 0.3786 1.9157 0.053 Uiso 1 1 calc R . .
C4 C 0.71682(16) 0.37549(12) 1.7435(3) 0.0421(8) Uani 1 1 d . . .
H4A H 0.7152 0.3386 1.7383 0.051 Uiso 1 1 calc R . .
C5 C 0.67343(14) 0.40460(11) 1.6440(3) 0.0309(6) Uani 1 1 d . . .
H5A H 0.6428 0.3879 1.5709 0.037 Uiso 1 1 calc R . .
C6 C 0.67553(13) 0.45836(10) 1.6529(2) 0.0262(6) Uani 1 1 d . . .
C7 C 0.59923(12) 0.48047(10) 1.4309(3) 0.0236(5) Uani 1 1 d . . .
C8 C 0.47364(13) 0.56817(10) 1.2113(3) 0.0276(6) Uani 1 1 d . . .
H8A H 0.4884 0.5995 1.2584 0.033 Uiso 1 1 calc R . .
C9 C 0.42008(13) 0.56890(10) 1.0991(3) 0.0276(6) Uani 1 1 d . . .
H9 H 0.3977 0.6012 1.0719 0.033 Uiso 1 1 calc R . .
C10 C 0.42983(13) 0.48182(10) 1.0681(3) 0.0272(6) Uani 1 1 d . . .
H10 H 0.4149 0.4513 1.0175 0.033 Uiso 1 1 calc R . .
C11 C 0.48332(13) 0.47694(10) 1.1804(3) 0.0251(5) Uani 1 1 d . . .
H11 H 0.5041 0.4440 1.2059 0.030 Uiso 1 1 calc R . .
C12 C 0.21946(13) 0.56549(9) 0.5871(2) 0.0240(5) Uani 1 1 d . . .
H12 H 0.2640 0.5680 0.5636 0.029 Uiso 1 1 calc R . .
C13 C 0.15973(13) 0.57311(10) 0.4886(2) 0.0239(5) Uani 1 1 d . . .
H13 H 0.1635 0.5805 0.3994 0.029 Uiso 1 1 calc R . .
C14 C 0.09344(12) 0.56995(9) 0.5198(2) 0.0212(5) Uani 1 1 d . . .
C15 C 0.09154(13) 0.56009(10) 0.6536(2) 0.0263(6) Uani 1 1 d . . .
H15 H 0.0479 0.5586 0.6808 0.032 Uiso 1 1 calc R . .
C16 C 0.15378(13) 0.55267(10) 0.7447(3) 0.0269(6) Uani 1 1 d . . .
H16 H 0.1514 0.5456 0.8349 0.032 Uiso 1 1 calc R . .
C17 C 0.50645(12) 0.52128(10) 1.2562(2) 0.0228(5) Uani 1 1 d . . .
C18 C -0.15498(12) 0.57766(9) 0.2826(3) 0.0225(5) Uani 1 1 d . . .
C19 C -0.19376(13) 0.57839(10) 0.3826(3) 0.0259(6) Uani 1 1 d . . .
H19 H -0.1704 0.5782 0.4746 0.031 Uiso 1 1 calc R . .
C20 C -0.26674(13) 0.57938(10) 0.3465(3) 0.0282(6) Uani 1 1 d . . .
H20 H -0.2930 0.5796 0.4148 0.034 Uiso 1 1 calc R . .
C21 C -0.30215(13) 0.58005(10) 0.2138(3) 0.0288(6) Uani 1 1 d . . .
H21 H -0.3521 0.5813 0.1908 0.035 Uiso 1 1 calc R . .
C22 C -0.26378(13) 0.57882(10) 0.1145(3) 0.0275(6) Uani 1 1 d . . .
H22 H -0.2876 0.5788 0.0228 0.033 Uiso 1 1 calc R . .
C23 C -0.19062(13) 0.57759(9) 0.1485(3) 0.0247(5) Uani 1 1 d . . .
H23 H -0.1647 0.5767 0.0798 0.030 Uiso 1 1 calc R . .
C24 C 0.55665(15) 0.23062(13) 1.0890(3) 0.0407(7) Uani 1 1 d . . .
H24 H 0.5519 0.1948 1.0663 0.049 Uiso 1 1 calc R . .
C25 C 0.59973(17) 0.24583(16) 1.2085(3) 0.0519(9) Uani 1 1 d . . .
H25 H 0.6239 0.2202 1.2683 0.062 Uiso 1 1 calc R . .
C26 C 0.60828(16) 0.29772(16) 1.2423(3) 0.0497(9) Uani 1 1 d . . .
H26 H 0.6386 0.3080 1.3242 0.060 Uiso 1 1 calc R . .
C27 C 0.57223(15) 0.33446(14) 1.1554(3) 0.0423(7) Uani 1 1 d . . .
H27 H 0.5779 0.3702 1.1782 0.051 Uiso 1 1 calc R . .
C28 C 0.52775(15) 0.32011(12) 1.0350(3) 0.0358(7) Uani 1 1 d . . .
H28 H 0.5029 0.3458 0.9763 0.043 Uiso 1 1 calc R . .
C29 C 0.51997(14) 0.26780(11) 1.0013(3) 0.0320(6) Uani 1 1 d . . .
C30 C 0.43397(13) 0.27623(10) 0.7819(3) 0.0269(6) Uani 1 1 d . . .
C31 C 0.34957(13) 0.25363(10) 0.5688(3) 0.0256(6) Uani 1 1 d . . .
C32 C 0.32865(14) 0.30349(10) 0.5216(3) 0.0293(6) Uani 1 1 d . . .
H32 H 0.3468 0.3334 0.5721 0.035 Uiso 1 1 calc R . .
C33 C 0.28140(14) 0.30844(10) 0.4010(3) 0.0300(6) Uani 1 1 d . . .
H33 H 0.2675 0.3426 0.3707 0.036 Uiso 1 1 calc R . .
C34 C 0.32020(14) 0.21181(10) 0.4883(3) 0.0300(6) Uani 1 1 d . . .
H34 H 0.3324 0.1772 0.5167 0.036 Uiso 1 1 calc R . .
C35 C 0.27398(14) 0.22064(11) 0.3690(3) 0.0310(6) Uani 1 1 d . . .
H35 H 0.2554 0.1915 0.3158 0.037 Uiso 1 1 calc R . .
C36 C 0.08728(14) 0.29722(11) -0.1433(3) 0.0302(6) Uani 1 1 d . . .
H36 H 0.1016 0.3320 -0.1208 0.036 Uiso 1 1 calc R . .
C37 C 0.04200(14) 0.28866(10) -0.2644(3) 0.0297(6) Uani 1 1 d . . .
H37 H 0.0264 0.3168 -0.3237 0.036 Uiso 1 1 calc R . .
C38 C 0.01907(13) 0.23786(10) -0.2996(3) 0.0265(6) Uani 1 1 d . . .
C39 C 0.04584(14) 0.19858(10) -0.2076(3) 0.0296(6) Uani 1 1 d . . .
H39 H 0.0323 0.1634 -0.2270 0.035 Uiso 1 1 calc R . .
C40 C 0.09168(14) 0.21098(11) -0.0893(3) 0.0315(6) Uani 1 1 d . . .
H40 H 0.1094 0.1835 -0.0291 0.038 Uiso 1 1 calc R . .
C41 C -0.06446(13) 0.25810(11) -0.5133(3) 0.0278(6) Uani 1 1 d . . .
C42 C -0.15156(14) 0.25183(10) -0.7306(3) 0.0273(6) Uani 1 1 d . . .
C43 C -0.17611(15) 0.30284(11) -0.7385(3) 0.0344(6) Uani 1 1 d . . .
H43 H -0.1578 0.3271 -0.6695 0.041 Uiso 1 1 calc R . .
C44 C -0.22765(16) 0.31771(12) -0.8484(3) 0.0390(7) Uani 1 1 d . . .
H44 H -0.2447 0.3524 -0.8535 0.047 Uiso 1 1 calc R . .
C45 C -0.25482(17) 0.28358(12) -0.9501(3) 0.0390(7) Uani 1 1 d . . .
H45 H -0.2905 0.2944 -1.0242 0.047 Uiso 1 1 calc R . .
C46 C -0.22941(16) 0.23344(12) -0.9429(3) 0.0375(7) Uani 1 1 d . . .
H46 H -0.2474 0.2095 -1.0129 0.045 Uiso 1 1 calc R . .
C47 C -0.17802(15) 0.21770(11) -0.8347(3) 0.0321(6) Uani 1 1 d . . .
H47 H -0.1605 0.1831 -0.8314 0.039 Uiso 1 1 calc R . .
C48 C 0.13535(15) 0.41666(12) 0.1862(3) 0.0344(7) Uani 1 1 d . . .
C49 C 0.10117(16) 0.46422(12) 0.2133(3) 0.0379(7) Uani 1 1 d . . .
H49A H 0.1368 0.4911 0.2438 0.057 Uiso 1 1 calc R . .
H49B H 0.0748 0.4578 0.2832 0.057 Uiso 1 1 calc R . .
H49C H 0.0688 0.4759 0.1313 0.057 Uiso 1 1 calc R . .
C50 C -0.03505(13) 0.57646(10) 0.4290(3) 0.0235(5) Uani 1 1 d . . .
H1 H 0.4751(15) 0.2169(12) 0.876(3) 0.029(8) Uiso 1 1 d . . .
H2 H 0.4025(14) 0.2140(12) 0.700(3) 0.023(8) Uiso 1 1 d . . .
H3 H 0.6289(14) 0.5208(12) 1.590(3) 0.027(8) Uiso 1 1 d . . .
H4 H 0.5589(14) 0.5457(11) 1.418(3) 0.019(8) Uiso 1 1 d . . .
H5 H 0.0422(13) 0.5840(10) 0.349(3) 0.013(7) Uiso 1 1 d . . .
H6 H -0.0650(13) 0.5743(9) 0.252(3) 0.007(7) Uiso 1 1 d . . .
H7 H -0.0354(14) 0.1941(12) -0.424(3) 0.023(8) Uiso 1 1 d . . .
H8 H -0.0959(14) 0.2000(12) -0.623(3) 0.023(7) Uiso 1 1 d . . .
N1 N 0.47550(12) 0.24898(10) 0.8841(2) 0.0301(5) Uani 1 1 d . . .
N2 N 0.39631(12) 0.24256(9) 0.6861(2) 0.0271(5) Uani 1 1 d . . .
N3 N 0.25344(11) 0.26844(9) 0.3228(2) 0.0283(5) Uani 1 1 d . . .
N4 N 0.11294(11) 0.25971(9) -0.0539(2) 0.0291(5) Uani 1 1 d . . .
N5 N -0.02704(12) 0.22434(9) -0.4167(2) 0.0278(5) Uani 1 1 d . . .
N6 N -0.10233(12) 0.23146(10) -0.6211(2) 0.0295(5) Uani 1 1 d . . .
N7 N -0.08090(11) 0.57696(9) 0.3079(2) 0.0233(5) Uani 1 1 d . . .
N8 N 0.03457(11) 0.57558(9) 0.4170(2) 0.0232(5) Uani 1 1 d . . .
N9 N 0.21782(11) 0.55464(8) 0.7159(2) 0.0236(5) Uani 1 1 d . . .
N10 N 0.39748(10) 0.52638(8) 1.0252(2) 0.0259(5) Uani 1 1 d . . .
N11 N 0.55716(11) 0.52162(9) 1.3739(2) 0.0260(5) Uani 1 1 d . . .
N12 N 0.63191(11) 0.49131(9) 1.5602(2) 0.0263(5) Uani 1 1 d . . .
N13 N 0.42120(16) 0.38516(9) 0.3552(3) 0.0440(7) Uani 1 1 d . . .
N14 N 0.16225(15) 0.37920(11) 0.1637(3) 0.0456(6) Uani 1 1 d . . .
N17 N 0.02869(12) 0.59738(9) 0.0676(2) 0.0300(5) Uani 1 1 d . . .
O1 O 0.42873(10) 0.32323(7) 0.77473(18) 0.0309(4) Uani 1 1 d . . .
O2 O -0.06252(9) 0.30499(7) -0.50171(19) 0.0308(4) Uani 1 1 d . . .
O3 O -0.05242(9) 0.57688(8) 0.53636(18) 0.0360(5) Uani 1 1 d . . .
O4 O 0.60658(9) 0.44090(7) 1.37117(19) 0.0332(4) Uani 1 1 d . . .
O5 O 0.06168(10) 0.62084(7) 0.16848(18) 0.0329(4) Uani 1 1 d . . .
O6 O 0.03862(11) 0.60878(8) -0.04561(19) 0.0393(5) Uani 1 1 d . . .
O7 O -0.01447(11) 0.56256(8) 0.08101(19) 0.0374(5) Uani 1 1 d . . .
O8 O 0.45898(14) 0.38966(10) 0.4688(3) 0.0582(6) Uani 1 1 d . . .
O9 O 0.36456(14) 0.40908(9) 0.3237(3) 0.0581(6) Uani 1 1 d . . .
O10 O 0.44133(15) 0.35726(9) 0.2708(3) 0.0612(7) 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'
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 N10 168.89(8) . . ?
N4 Ag2 N3 161.38(9) . . ?
C2 C1 C6 119.9(3) . . ?
C2 C1 H1A 120.1 . . ?
C6 C1 H1A 120.1 . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 H2A 119.6 . . ?
C1 C2 H2A 119.6 . . ?
C2 C3 C4 119.1(3) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C3 C4 C5 121.4(3) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
C6 C5 C4 119.0(3) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C5 C6 C1 119.9(2) . . ?
C5 C6 N12 123.4(2) . . ?
C1 C6 N12 116.7(2) . . ?
O4 C7 N12 125.3(2) . . ?
O4 C7 N11 123.7(2) . . ?
N12 C7 N11 111.0(2) . . ?
C9 C8 C17 119.8(2) . . ?
C9 C8 H8A 120.1 . . ?
C17 C8 H8A 120.1 . . ?
N10 C9 C8 123.6(2) . . ?
N10 C9 H9 118.2 . . ?
C8 C9 H9 118.2 . . ?
N10 C10 C11 124.6(2) . . ?
N10 C10 H10 117.7 . . ?
C11 C10 H10 117.7 . . ?
C10 C11 C17 118.8(2) . . ?
C10 C11 H11 120.6 . . ?
C17 C11 H11 120.6 . . ?
N9 C12 C13 123.1(2) . . ?
N9 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
C12 C13 C14 119.9(2) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
N8 C14 C13 118.2(2) . . ?
N8 C14 C15 124.6(2) . . ?
C13 C14 C15 117.2(2) . . ?
C16 C15 C14 118.8(2) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
N9 C16 C15 124.8(2) . . ?
N9 C16 H16 117.6 . . ?
C15 C16 H16 117.6 . . ?
N11 C17 C8 118.0(2) . . ?
N11 C17 C11 124.8(2) . . ?
C8 C17 C11 117.1(2) . . ?
C23 C18 C19 119.1(2) . . ?
C23 C18 N7 116.8(2) . . ?
C19 C18 N7 124.1(2) . . ?
C20 C19 C18 119.4(2) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C21 C20 C19 121.6(3) . . ?
C21 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C20 C21 C22 119.1(2) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C21 C22 C23 120.3(2) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C18 120.5(2) . . ?
C22 C23 H23 119.7 . . ?
C18 C23 H23 119.7 . . ?
C25 C24 C29 120.1(3) . . ?
C25 C24 H24 120.0 . . ?
C29 C24 H24 120.0 . . ?
C24 C25 C26 120.9(3) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C27 C26 C25 119.0(3) . . ?
C27 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
C26 C27 C28 121.2(3) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 119.3(3) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C24 119.5(3) . . ?
C28 C29 N1 124.0(3) . . ?
C24 C29 N1 116.5(3) . . ?
O1 C30 N1 125.8(3) . . ?
O1 C30 N2 123.6(2) . . ?
N1 C30 N2 110.6(2) . . ?
N2 C31 C34 117.6(2) . . ?
N2 C31 C32 125.5(2) . . ?
C34 C31 C32 116.9(2) . . ?
C33 C32 C31 118.8(3) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.6 . . ?
N3 C33 C32 124.6(3) . . ?
N3 C33 H33 117.7 . . ?
C32 C33 H33 117.7 . . ?
C35 C34 C31 120.1(3) . . ?
C35 C34 H34 119.9 . . ?
C31 C34 H34 120.0 . . ?
N3 C35 C34 123.5(3) . . ?
N3 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
N4 C36 C37 124.5(3) . . ?
N4 C36 H36 117.7 . . ?
C37 C36 H36 117.7 . . ?
C36 C37 C38 119.2(3) . . ?
C36 C37 H37 120.4 . . ?
C38 C37 H37 120.4 . . ?
N5 C38 C39 118.5(2) . . ?
N5 C38 C37 124.8(3) . . ?
C39 C38 C37 116.7(2) . . ?
C40 C39 C38 119.9(3) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
N4 C40 C39 123.7(3) . . ?
N4 C40 H40 118.1 . . ?
C39 C40 H40 118.1 . . ?
O2 C41 N6 125.3(3) . . ?
O2 C41 N5 123.4(3) . . ?
N6 C41 N5 111.4(2) . . ?
C47 C42 C43 119.1(3) . . ?
C47 C42 N6 116.6(2) . . ?
C43 C42 N6 124.3(2) . . ?
C44 C43 C42 119.0(3) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C45 C44 C43 121.8(3) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C44 C45 C46 118.9(3) . . ?
C44 C45 H45 120.6 . . ?
C46 C45 H45 120.6 . . ?
C45 C46 C47 120.4(3) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 H46 119.8 . . ?
C46 C47 C42 120.7(3) . . ?
C46 C47 H47 119.6 . . ?
C42 C47 H47 119.6 . . ?
N14 C48 C49 179.4(3) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O3 C50 N7 124.4(2) . . ?
O3 C50 N8 123.3(2) . . ?
N7 C50 N8 112.3(2) . . ?
C30 N1 C29 128.9(3) . . ?
C30 N1 H1 116(2) . . ?
C29 N1 H1 115(2) . . ?
C31 N2 C30 129.4(2) . . ?
C31 N2 H2 115(2) . . ?
C30 N2 H2 116(2) . . ?
C33 N3 C35 116.1(2) . . ?
C33 N3 Ag2 123.74(18) . . ?
C35 N3 Ag2 120.11(18) . . ?
C40 N4 C36 116.0(2) . . ?
C40 N4 Ag2 122.40(19) . . ?
C36 N4 Ag2 121.56(18) . . ?
C38 N5 C41 126.8(2) . . ?
C38 N5 H7 114(2) . . ?
C41 N5 H7 118(2) . . ?
C41 N6 C42 127.4(2) . . ?
C41 N6 H8 117.2(19) . . ?
C42 N6 H8 115.4(19) . . ?
C50 N7 C18 127.6(2) . . ?
C50 N7 H6 115(2) . . ?
C18 N7 H6 118(2) . . ?
C14 N8 C50 126.7(2) . . ?
C14 N8 H5 114.9(19) . . ?
C50 N8 H5 117.4(19) . . ?
C16 N9 C12 116.2(2) . . ?
C16 N9 Ag1 122.08(17) . . ?
C12 N9 Ag1 121.46(16) . . ?
C10 N10 C9 116.2(2) . . ?
C10 N10 Ag1 125.74(18) . . ?
C9 N10 Ag1 118.01(17) . . ?
C17 N11 C7 127.3(2) . . ?
C17 N11 H4 117(2) . . ?
C7 N11 H4 115(2) . . ?
C7 N12 C6 127.8(2) . . ?
C7 N12 H3 119(2) . . ?
C6 N12 H3 113(2) . . ?
O8 N13 O9 120.6(3) . . ?
O8 N13 O10 119.4(3) . . ?
O9 N13 O10 120.0(3) . . ?
O5 N17 O6 119.8(2) . . ?
O5 N17 O7 119.4(2) . . ?
O6 N17 O7 120.7(2) . . ?
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 2.124(2) . ?
Ag1 N10 2.128(2) . ?
Ag2 N4 2.133(2) . ?
Ag2 N3 2.134(2) . ?
C1 C2 1.385(4) . ?
C1 C6 1.394(4) . ?
C1 H1A 0.9500 . ?
C2 C3 1.374(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.380(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.390(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H5A 0.9500 . ?
C6 N12 1.409(3) . ?
C7 O4 1.211(3) . ?
C7 N12 1.364(3) . ?
C7 N11 1.386(3) . ?
C8 C9 1.371(4) . ?
C8 C17 1.394(4) . ?
C8 H8A 0.9500 . ?
C9 N10 1.347(3) . ?
C9 H9 0.9500 . ?
C10 N10 1.335(3) . ?
C10 C11 1.376(4) . ?
C10 H10 0.9500 . ?
C11 C17 1.397(4) . ?
C11 H11 0.9500 . ?
C12 N9 1.352(3) . ?
C12 C13 1.375(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(3) . ?
C13 H13 0.9500 . ?
C14 N8 1.382(3) . ?
C14 C15 1.398(3) . ?
C15 C16 1.370(3) . ?
C15 H15 0.9500 . ?
C16 N9 1.342(3) . ?
C16 H16 0.9500 . ?
C17 N11 1.379(3) . ?
C18 C23 1.393(3) . ?
C18 C19 1.397(4) . ?
C18 N7 1.408(3) . ?
C19 C20 1.387(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.378(5) . ?
C24 C29 1.395(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.379(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.389(4) . ?
C28 H28 0.9500 . ?
C29 N1 1.401(4) . ?
C30 O1 1.214(3) . ?
C30 N1 1.366(3) . ?
C30 N2 1.389(4) . ?
C31 N2 1.367(3) . ?
C31 C34 1.398(4) . ?
C31 C32 1.399(4) . ?
C32 C33 1.373(4) . ?
C32 H32 0.9500 . ?
C33 N3 1.343(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.367(4) . ?
C34 H34 0.9500 . ?
C35 N3 1.346(3) . ?
C35 H35 0.9500 . ?
C36 N4 1.347(4) . ?
C36 C37 1.371(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.402(4) . ?
C37 H37 0.9500 . ?
C38 N5 1.373(3) . ?
C38 C39 1.401(4) . ?
C39 C40 1.374(4) . ?
C39 H39 0.9500 . ?
C40 N4 1.345(4) . ?
C40 H40 0.9500 . ?
C41 O2 1.212(3) . ?
C41 N6 1.368(3) . ?
C41 N5 1.395(4) . ?
C42 C47 1.388(4) . ?
C42 C43 1.393(4) . ?
C42 N6 1.405(4) . ?
C43 C44 1.386(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.375(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.377(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.379(4) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 N14 1.144(4) . ?
C48 C49 1.448(4) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 O3 1.216(3) . ?
C50 N7 1.358(3) . ?
C50 N8 1.387(3) . ?
N1 H1 0.83(3) . ?
N2 H2 0.75(3) . ?
N5 H7 0.79(3) . ?
N6 H8 0.82(3) . ?
N7 H6 0.71(2) . ?
N8 H5 0.77(3) . ?
N11 H4 0.76(3) . ?
N12 H3 0.82(3) . ?
N13 O8 1.236(4) . ?
N13 O9 1.242(4) . ?
N13 O10 1.249(3) . ?
N17 O5 1.245(3) . ?
N17 O6 1.249(3) . ?
N17 O7 1.256(3) . ?
