#------------------------------------------------------------------------------
#$Date: 2021-03-05 03:44:16 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262561 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/20/7242041.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_7242041
loop_
_publ_author_name
'Venter, Chané'
'Akerman, Matthew P.'
_publ_section_title
;
 Pre-organisation of ligand donor sets modulates the supramolecular
 structure of bis(pyridyl--imine) silver(i) chelates
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1294
_journal_page_last               1304
_journal_paper_doi               10.1039/D0CE01610A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C18 H14 Ag N4, C24 H20 B'
_chemical_formula_sum            'C42 H34 Ag B N4'
_chemical_formula_weight         713.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-09-23 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.447(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2241(15)
_cell_length_b                   9.2420(9)
_cell_length_c                   23.889(2)
_cell_measurement_reflns_used    5621
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      1.3
_cell_volume                     3417.2(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2012)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19959
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.037
_diffrn_reflns_theta_min         1.316
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       needle
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0263P)²+3.2456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5621
_reflns_number_total             6707
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01610a2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7242038--7242041.cif.'
_cod_original_cell_volume        3417.2(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7242041
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.912
_shelx_estimated_absorpt_t_max   0.975
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.66259(2) -0.58758(2) 0.89353(2) 0.01983(6) Uani 1 1 d . . . . .
N1 N 0.78600(11) -0.68581(19) 0.88790(8) 0.0149(4) Uani 1 1 d . . . . .
N2 N 0.69346(11) -0.4865(2) 0.80619(8) 0.0149(4) Uani 1 1 d . . . . .
N3 N 0.49260(11) -0.11020(19) 0.63355(8) 0.0132(4) Uani 1 1 d . . . . .
N4 N 0.38523(11) 0.05535(19) 0.54388(8) 0.0146(4) Uani 1 1 d . . . . .
C1 C 0.83680(15) -0.7723(3) 0.92837(10) 0.0204(5) Uani 1 1 d . . . . .
H1 H 0.8186 -0.7993 0.9612 0.024 Uiso 1 1 calc R U . . .
C2 C 0.91531(15) -0.8247(3) 0.92471(11) 0.0230(5) Uani 1 1 d . . . . .
H2 H 0.9502 -0.8847 0.9548 0.028 Uiso 1 1 calc R U . . .
C3 C 0.94182(15) -0.7886(3) 0.87696(11) 0.0220(5) Uani 1 1 d . . . . .
H3 H 0.9952 -0.8232 0.8735 0.026 Uiso 1 1 calc R U . . .
C4 C 0.88904(14) -0.7010(2) 0.83418(10) 0.0188(5) Uani 1 1 d . . . . .
H4 H 0.9052 -0.6757 0.8004 0.023 Uiso 1 1 calc R U . . .
C5 C 0.81214(14) -0.6502(2) 0.84109(9) 0.0133(4) Uani 1 1 d . . . . .
C6 C 0.75813(14) -0.5514(2) 0.79757(10) 0.0152(5) Uani 1 1 d . . . . .
H6 H 0.7715 -0.5350 0.7620 0.018 Uiso 1 1 calc R U . . .
C7 C 0.64666(14) -0.3873(2) 0.76307(9) 0.0155(5) Uani 1 1 d . . . . .
C8 C 0.68503(14) -0.3043(2) 0.72909(10) 0.0182(5) Uani 1 1 d . . . . .
H9 H 0.7456 -0.3113 0.7354 0.022 Uiso 1 1 calc R U . . .
C9 C 0.63680(14) -0.2126(2) 0.68671(10) 0.0177(5) Uani 1 1 d . . . . .
H10 H 0.6641 -0.1570 0.6639 0.021 Uiso 1 1 calc R U . . .
C10 C 0.54773(13) -0.2006(2) 0.67689(9) 0.0138(4) Uani 1 1 d . . . . .
C13 C 0.52513(14) -0.0145(2) 0.60754(9) 0.0142(5) Uani 1 1 d . . . . .
H13 H 0.5861 -0.0024 0.6191 0.017 Uiso 1 1 calc R U . . .
C14 C 0.47155(13) 0.0765(2) 0.56075(9) 0.0129(4) Uani 1 1 d . . . . .
C18 C 0.33786(15) 0.1359(3) 0.49933(10) 0.0194(5) Uani 1 1 d . . . . .
H18 H 0.2771 0.1216 0.4864 0.023 Uiso 1 1 calc R U . . .
C17 C 0.37297(15) 0.2394(3) 0.47094(10) 0.0203(5) Uani 1 1 d . . . . .
H17 H 0.3369 0.2935 0.4392 0.024 Uiso 1 1 calc R U . . .
C16 C 0.46080(14) 0.2625(2) 0.48952(10) 0.0186(5) Uani 1 1 d . . . . .
H16 H 0.4863 0.3345 0.4716 0.022 Uiso 1 1 calc R U . . .
C15 C 0.51115(14) 0.1784(2) 0.53480(10) 0.0166(5) Uani 1 1 d . . . . .
H15 H 0.5721 0.1903 0.5480 0.020 Uiso 1 1 calc R U . . .
C11 C 0.50934(14) -0.2830(3) 0.71091(10) 0.0212(5) Uani 1 1 d . . . . .
H11 H 0.4487 -0.2766 0.7044 0.025 Uiso 1 1 calc R U . . .
C12 C 0.55822(15) -0.3739(3) 0.75406(10) 0.0218(5) Uani 1 1 d . . . . .
H12 H 0.5313 -0.4275 0.7777 0.026 Uiso 1 1 calc R U . . .
C22 C 0.08364(14) 0.2316(3) 0.26920(10) 0.0230(5) Uani 1 1 d . . . . .
H22 H 0.0640 0.1587 0.2402 0.028 Uiso 1 1 calc R U . . .
C23 C 0.13266(14) 0.1958(3) 0.32551(10) 0.0196(5) Uani 1 1 d . . . . .
H23 H 0.1462 0.0974 0.3357 0.024 Uiso 1 1 calc R U . . .
C24 C 0.16225(14) 0.3039(2) 0.36734(10) 0.0154(5) Uani 1 1 d . . . . .
H24 H 0.1954 0.2763 0.4058 0.019 Uiso 1 1 calc R U . . .
C19 C 0.14546(13) 0.4516(2) 0.35543(9) 0.0134(4) Uani 1 1 d . . . . .
C25 C 0.11455(15) 0.7020(2) 0.40739(10) 0.0183(5) Uani 1 1 d . . . . .
C26 C 0.02645(15) 0.6719(3) 0.39342(11) 0.0228(5) Uani 1 1 d . . . . .
H26 H 0.0058 0.5809 0.3764 0.027 Uiso 1 1 calc R U . . .
C27 C -0.03229(17) 0.7711(3) 0.40360(12) 0.0330(6) Uani 1 1 d . . . . .
H27 H -0.0919 0.7467 0.3932 0.040 Uiso 1 1 calc R U . . .
C28 C -0.00494(19) 0.9043(3) 0.42855(12) 0.0343(7) Uani 1 1 d . . . . .
H28 H -0.0450 0.9712 0.4358 0.041 Uiso 1 1 calc R U . . .
C34 C 0.3525(2) 0.7842(3) 0.29962(12) 0.0385(8) Uani 1 1 d . . . . .
H34 H 0.3865 0.8243 0.2773 0.046 Uiso 1 1 calc R U . . .
C33 C 0.27368(19) 0.8443(3) 0.29666(11) 0.0328(7) Uani 1 1 d . . . . .
H33 H 0.2527 0.9253 0.2721 0.039 Uiso 1 1 calc R U . . .
C32 C 0.22495(17) 0.7849(3) 0.33016(10) 0.0249(6) Uani 1 1 d . . . . .
H32 H 0.1708 0.8278 0.3278 0.030 Uiso 1 1 calc R U . . .
C31 C 0.25195(15) 0.6650(2) 0.36713(10) 0.0184(5) Uani 1 1 d . . . . .
C36 C 0.33223(15) 0.6070(3) 0.36814(11) 0.0232(5) Uani 1 1 d . . . . .
H36 H 0.3535 0.5251 0.3921 0.028 Uiso 1 1 calc R U . . .
C35 C 0.38200(17) 0.6655(3) 0.33511(12) 0.0338(7) Uani 1 1 d . . . . .
H35 H 0.4363 0.6236 0.3370 0.041 Uiso 1 1 calc R U . . .
C21 C 0.06357(15) 0.3763(3) 0.25576(10) 0.0217(5) Uani 1 1 d . . . . .
H21 H 0.0288 0.4027 0.2175 0.026 Uiso 1 1 calc R U . . .
C20 C 0.09430(14) 0.4823(3) 0.29817(10) 0.0171(5) Uani 1 1 d . . . . .
H20 H 0.0799 0.5803 0.2878 0.021 Uiso 1 1 calc R U . . .
C37 C 0.23738(14) 0.5320(2) 0.46714(10) 0.0166(5) Uani 1 1 d . . . . .
C42 C 0.19916(15) 0.4322(2) 0.49626(10) 0.0190(5) Uani 1 1 d . . . . .
H42 H 0.1447 0.3920 0.4755 0.023 Uiso 1 1 calc R U . . .
C41 C 0.23727(16) 0.3897(3) 0.55390(10) 0.0262(6) Uani 1 1 d . . . . .
H41 H 0.2094 0.3204 0.5714 0.031 Uiso 1 1 calc R U . . .
C40 C 0.31572(17) 0.4479(3) 0.58609(11) 0.0311(6) Uani 1 1 d . . . . .
H40 H 0.3425 0.4183 0.6254 0.037 Uiso 1 1 calc R U . . .
C39 C 0.35446(16) 0.5500(3) 0.55993(10) 0.0275(6) Uani 1 1 d . . . . .
H39 H 0.4074 0.5933 0.5818 0.033 Uiso 1 1 calc R U . . .
C38 C 0.31625(15) 0.5892(3) 0.50193(10) 0.0220(5) Uani 1 1 d . . . . .
H38 H 0.3449 0.6583 0.4849 0.026 Uiso 1 1 calc R U . . .
C30 C 0.13960(17) 0.8391(3) 0.43243(11) 0.0264(6) Uani 1 1 d . . . . .
H30 H 0.1990 0.8649 0.4427 0.032 Uiso 1 1 calc R U . . .
C29 C 0.08159(19) 0.9383(3) 0.44274(12) 0.0333(7) Uani 1 1 d . . . . .
H29 H 0.1015 1.0297 0.4596 0.040 Uiso 1 1 calc R U . . .
B1 B 0.18767(16) 0.5860(3) 0.40007(11) 0.0155(5) 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'
B B 0.0013 0.0007 '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
N1 Ag1 N4 139.01(6) . 2_646 ?
N1 Ag1 N3 145.96(6) . 2_646 ?
N4 Ag1 N3 72.27(6) 2_646 2_646 ?
N1 Ag1 N2 72.01(6) . . ?
N4 Ag1 N2 121.73(6) 2_646 . ?
N3 Ag1 N2 105.41(6) 2_646 . ?
C1 N1 C5 117.88(19) . . ?
C1 N1 Ag1 124.72(15) . . ?
C5 N1 Ag1 117.35(14) . . ?
C6 N2 C7 118.25(18) . . ?
C6 N2 Ag1 110.06(14) . . ?
C7 N2 Ag1 131.16(13) . . ?
C13 N3 C10 119.91(18) . . ?
C13 N3 Ag1 111.00(14) . 2_656 ?
C10 N3 Ag1 128.69(13) . 2_656 ?
C18 N4 C14 117.02(19) . . ?
C18 N4 Ag1 127.78(15) . 2_656 ?
C14 N4 Ag1 114.29(14) . 2_656 ?
N1 C1 C2 122.9(2) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 119.2(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 118.5(2) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 119.4(2) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 122.2(2) . . ?
N1 C5 C6 118.12(19) . . ?
C4 C5 C6 119.68(19) . . ?
N2 C6 C5 121.7(2) . . ?
N2 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C12 C7 C8 118.8(2) . . ?
C12 C7 N2 118.24(19) . . ?
C8 C7 N2 122.98(19) . . ?
C9 C8 C7 121.0(2) . . ?
C9 C8 H9 119.5 . . ?
C7 C8 H9 119.5 . . ?
C8 C9 C10 120.4(2) . . ?
C8 C9 H10 119.8 . . ?
C10 C9 H10 119.8 . . ?
C11 C10 C9 118.7(2) . . ?
C11 C10 N3 117.01(18) . . ?
C9 C10 N3 124.27(19) . . ?
N3 C13 C14 122.11(19) . . ?
N3 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
N4 C14 C15 122.9(2) . . ?
N4 C14 C13 118.14(19) . . ?
C15 C14 C13 118.97(19) . . ?
N4 C18 C17 123.4(2) . . ?
N4 C18 H18 118.3 . . ?
C17 C18 H18 118.3 . . ?
C16 C17 C18 119.0(2) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C17 C16 C15 118.5(2) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C15 C14 119.2(2) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C12 C11 C10 120.8(2) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C7 120.3(2) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C23 C22 C21 118.8(2) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 123.2(2) . . ?
C23 C24 H24 118.4 . . ?
C19 C24 H24 118.4 . . ?
C20 C19 C24 114.7(2) . . ?
C20 C19 B1 119.30(19) . . ?
C24 C19 B1 125.8(2) . . ?
C26 C25 C30 115.2(2) . . ?
C26 C25 B1 124.3(2) . . ?
C30 C25 B1 120.4(2) . . ?
C25 C26 C27 122.1(2) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C28 C27 C26 120.8(3) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 118.8(2) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C33 C34 C35 119.8(2) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C34 C33 C32 119.3(3) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C32 C31 123.2(3) . . ?
C33 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
C36 C31 C32 115.2(2) . . ?
C36 C31 B1 122.6(2) . . ?
C32 C31 B1 121.7(2) . . ?
C35 C36 C31 122.3(3) . . ?
C35 C36 H36 118.9 . . ?
C31 C36 H36 118.9 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C20 C19 123.2(2) . . ?
C21 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
C38 C37 C42 114.4(2) . . ?
C38 C37 B1 123.9(2) . . ?
C42 C37 B1 121.5(2) . . ?
C41 C42 C37 123.1(2) . . ?
C41 C42 H42 118.5 . . ?
C37 C42 H42 118.5 . . ?
C40 C41 C42 120.3(2) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C39 C40 C41 118.8(2) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
C40 C39 C38 120.2(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C38 C37 123.3(2) . . ?
C39 C38 H38 118.4 . . ?
C37 C38 H38 118.4 . . ?
C29 C30 C25 123.0(3) . . ?
C29 C30 H30 118.5 . . ?
C25 C30 H30 118.5 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C37 B1 C19 112.97(19) . . ?
C37 B1 C25 104.66(17) . . ?
C19 B1 C25 112.78(18) . . ?
C37 B1 C31 113.81(18) . . ?
C19 B1 C31 102.96(17) . . ?
C25 B1 C31 109.89(19) . . ?
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 N1 2.2389(18) . ?
Ag1 N4 2.2974(18) 2_646 ?
Ag1 N3 2.4134(17) 2_646 ?
Ag1 N2 2.4704(18) . ?
N1 C1 1.332(3) . ?
N1 C5 1.350(3) . ?
N2 C6 1.278(3) . ?
N2 C7 1.417(3) . ?
N3 C13 1.282(3) . ?
N3 C10 1.419(3) . ?
N3 Ag1 2.4134(17) 2_656 ?
N4 C18 1.337(3) . ?
N4 C14 1.350(3) . ?
N4 Ag1 2.2974(18) 2_656 ?
C1 C2 1.390(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.375(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.462(3) . ?
C6 H6 0.9500 . ?
C7 C12 1.391(3) . ?
C7 C8 1.392(3) . ?
C8 C9 1.371(3) . ?
C8 H9 0.9500 . ?
C9 C10 1.397(3) . ?
C9 H10 0.9500 . ?
C10 C11 1.390(3) . ?
C13 C14 1.459(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C18 C17 1.390(3) . ?
C18 H18 0.9500 . ?
C17 C16 1.376(3) . ?
C17 H17 0.9500 . ?
C16 C15 1.383(3) . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?
C11 C12 1.381(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C22 C23 1.382(3) . ?
C22 C21 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 C19 1.404(3) . ?
C24 H24 0.9500 . ?
C19 C20 1.400(3) . ?
C19 B1 1.647(3) . ?
C25 C26 1.395(3) . ?
C25 C30 1.408(3) . ?
C25 B1 1.647(3) . ?
C26 C27 1.395(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(4) . ?
C28 H28 0.9500 . ?
C34 C33 1.377(4) . ?
C34 C35 1.381(4) . ?
C34 H34 0.9500 . ?
C33 C32 1.395(3) . ?
C33 H33 0.9500 . ?
C32 C31 1.403(3) . ?
C32 H32 0.9500 . ?
C31 C36 1.402(3) . ?
C31 B1 1.653(3) . ?
C36 C35 1.396(3) . ?
C36 H36 0.9500 . ?
C35 H35 0.9500 . ?
C21 C20 1.390(3) . ?
C21 H21 0.9500 . ?
C20 H20 0.9500 . ?
C37 C38 1.404(3) . ?
C37 C42 1.407(3) . ?
C37 B1 1.640(3) . ?
C42 C41 1.386(3) . ?
C42 H42 0.9500 . ?
C41 C40 1.383(4) . ?
C41 H41 0.9500 . ?
C40 C39 1.382(4) . ?
C40 H40 0.9500 . ?
C39 C38 1.386(3) . ?
C39 H39 0.9500 . ?
C38 H38 0.9500 . ?
C30 C29 1.388(3) . ?
C30 H30 0.9500 . ?
C29 H29 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 1.0(3) . . . . ?
Ag1 N1 C1 C2 -176.39(18) . . . . ?
N1 C1 C2 C3 -1.2(4) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 1.1(4) . . . . ?
C1 N1 C5 C4 0.2(3) . . . . ?
Ag1 N1 C5 C4 177.84(17) . . . . ?
C1 N1 C5 C6 -177.9(2) . . . . ?
Ag1 N1 C5 C6 -0.3(3) . . . . ?
C3 C4 C5 N1 -1.3(3) . . . . ?
C3 C4 C5 C6 176.8(2) . . . . ?
C7 N2 C6 C5 177.1(2) . . . . ?
Ag1 N2 C6 C5 -10.3(3) . . . . ?
N1 C5 C6 N2 8.1(3) . . . . ?
C4 C5 C6 N2 -170.2(2) . . . . ?
C6 N2 C7 C12 147.1(2) . . . . ?
Ag1 N2 C7 C12 -23.6(3) . . . . ?
C6 N2 C7 C8 -32.2(3) . . . . ?
Ag1 N2 C7 C8 157.11(17) . . . . ?
C12 C7 C8 C9 -1.2(3) . . . . ?
N2 C7 C8 C9 178.1(2) . . . . ?
C7 C8 C9 C10 0.1(4) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C8 C9 C10 N3 -179.1(2) . . . . ?
C13 N3 C10 C11 168.5(2) . . . . ?
Ag1 N3 C10 C11 -3.6(3) 2_656 . . . ?
C13 N3 C10 C9 -12.3(3) . . . . ?
Ag1 N3 C10 C9 175.67(16) 2_656 . . . ?
C10 N3 C13 C14 177.04(19) . . . . ?
Ag1 N3 C13 C14 -9.6(2) 2_656 . . . ?
C18 N4 C14 C15 1.3(3) . . . . ?
Ag1 N4 C14 C15 -168.57(17) 2_656 . . . ?
C18 N4 C14 C13 -177.3(2) . . . . ?
Ag1 N4 C14 C13 12.8(2) 2_656 . . . ?
N3 C13 C14 N4 -1.6(3) . . . . ?
N3 C13 C14 C15 179.6(2) . . . . ?
C14 N4 C18 C17 -0.9(3) . . . . ?
Ag1 N4 C18 C17 167.44(17) 2_656 . . . ?
N4 C18 C17 C16 -0.7(4) . . . . ?
C18 C17 C16 C15 1.9(3) . . . . ?
C17 C16 C15 C14 -1.5(3) . . . . ?
N4 C14 C15 C16 -0.2(3) . . . . ?
C13 C14 C15 C16 178.5(2) . . . . ?
C9 C10 C11 C12 0.7(4) . . . . ?
N3 C10 C11 C12 180.0(2) . . . . ?
C10 C11 C12 C7 -1.7(4) . . . . ?
C8 C7 C12 C11 1.9(4) . . . . ?
N2 C7 C12 C11 -177.4(2) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
C22 C23 C24 C19 -0.5(3) . . . . ?
C23 C24 C19 C20 1.6(3) . . . . ?
C23 C24 C19 B1 -172.3(2) . . . . ?
C30 C25 C26 C27 0.1(3) . . . . ?
B1 C25 C26 C27 176.2(2) . . . . ?
C25 C26 C27 C28 -0.4(4) . . . . ?
C26 C27 C28 C29 0.7(4) . . . . ?
C35 C34 C33 C32 0.6(4) . . . . ?
C34 C33 C32 C31 -0.3(4) . . . . ?
C33 C32 C31 C36 -0.3(3) . . . . ?
C33 C32 C31 B1 -172.7(2) . . . . ?
C32 C31 C36 C35 0.6(3) . . . . ?
B1 C31 C36 C35 172.9(2) . . . . ?
C33 C34 C35 C36 -0.3(4) . . . . ?
C31 C36 C35 C34 -0.3(4) . . . . ?
C23 C22 C21 C20 1.5(3) . . . . ?
C22 C21 C20 C19 -0.3(3) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
B1 C19 C20 C21 173.1(2) . . . . ?
C38 C37 C42 C41 -2.1(3) . . . . ?
B1 C37 C42 C41 -176.6(2) . . . . ?
C37 C42 C41 C40 1.3(4) . . . . ?
C42 C41 C40 C39 0.8(4) . . . . ?
C41 C40 C39 C38 -2.0(4) . . . . ?
C40 C39 C38 C37 1.1(4) . . . . ?
C42 C37 C38 C39 0.8(3) . . . . ?
B1 C37 C38 C39 175.3(2) . . . . ?
C26 C25 C30 C29 0.0(3) . . . . ?
B1 C25 C30 C29 -176.3(2) . . . . ?
C27 C28 C29 C30 -0.6(4) . . . . ?
C25 C30 C29 C28 0.3(4) . . . . ?
C38 C37 B1 C19 139.2(2) . . . . ?
C42 C37 B1 C19 -46.8(3) . . . . ?
C38 C37 B1 C25 -97.8(2) . . . . ?
C42 C37 B1 C25 76.3(3) . . . . ?
C38 C37 B1 C31 22.2(3) . . . . ?
C42 C37 B1 C31 -163.7(2) . . . . ?
C20 C19 B1 C37 174.18(18) . . . . ?
C24 C19 B1 C37 -12.2(3) . . . . ?
C20 C19 B1 C25 55.7(3) . . . . ?
C24 C19 B1 C25 -130.7(2) . . . . ?
C20 C19 B1 C31 -62.6(2) . . . . ?
C24 C19 B1 C31 111.0(2) . . . . ?
C26 C25 B1 C37 -104.4(2) . . . . ?
C30 C25 B1 C37 71.6(2) . . . . ?
C26 C25 B1 C19 18.8(3) . . . . ?
C30 C25 B1 C19 -165.3(2) . . . . ?
C26 C25 B1 C31 133.0(2) . . . . ?
C30 C25 B1 C31 -51.0(3) . . . . ?
C36 C31 B1 C37 46.3(3) . . . . ?
C32 C31 B1 C37 -141.9(2) . . . . ?
C36 C31 B1 C19 -76.3(2) . . . . ?
C32 C31 B1 C19 95.5(2) . . . . ?
C36 C31 B1 C25 163.3(2) . . . . ?
C32 C31 B1 C25 -24.9(3) . . . . ?
