#------------------------------------------------------------------------------
#$Date: 2020-07-09 06:19:21 +0300 (Thu, 09 Jul 2020) $
#$Revision: 254123 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/36/4003621.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_4003621
loop_
_publ_author_name
'Chotard, Florian'
'Sivchik, Vasily'
'Linnolahti, Mikko'
'Bochmann, Manfred'
'Romanov, Alexander S.'
_publ_section_title
;
 Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design
 Leads to the Best Performance?
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c01769
_journal_year                    2020
_chemical_formula_moiety         'C36 H45 Ag N2'
_chemical_formula_sum            'C36 H45 Ag N2'
_chemical_formula_weight         613.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-11-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 103.783(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.8829(5)
_cell_length_b                   13.4632(2)
_cell_length_c                   17.0861(3)
_cell_measurement_reflns_used    33154
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      30.9430
_cell_measurement_theta_min      2.1360
_cell_volume                     6899.5(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -30.00  16.00   0.50    2.53    --    4.95 -37.00  90.00   92
  2  ω     -6.00  21.00   0.50    2.53    --    4.95  77.00  90.00   54
  3  ω    -67.00  60.00   0.50    2.53    --    4.95   0.00   0.00  254
  4  ω     -7.00  45.00   0.50    2.53    --    4.95  57.00 -30.00  104
  5  ω    -47.00  20.00   0.50    2.53    --    4.95 -57.00 150.00  134
  6  ω    -17.00   9.00   0.50    2.53    --    4.95  77.00  30.00   52
  7  ω    -28.00  -2.00   0.50    2.53    --   -5.34  77.00-180.00   52
  8  ω    -14.00  16.00   0.50    2.53    --   -5.34 -77.00  30.00   60
  9  ω     -1.00  27.00   0.50    2.53    --   -5.34 -99.00 -30.00   56
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0101876000
_diffrn_orient_matrix_UB_12      -0.0474695000
_diffrn_orient_matrix_UB_13      0.0022939000
_diffrn_orient_matrix_UB_21      -0.0208866000
_diffrn_orient_matrix_UB_22      -0.0227521000
_diffrn_orient_matrix_UB_23      -0.0013967000
_diffrn_orient_matrix_UB_31      -0.0044113000
_diffrn_orient_matrix_UB_32      -0.0018038000
_diffrn_orient_matrix_UB_33      -0.0426597000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44233
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.964
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_description       block
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.64
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+41.8856P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0845
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6505
_reflns_number_total             6783
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm0c01769_si_003.cif
_cod_data_source_block           BiCAACAgCz
_cod_database_code               4003621
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C32H35N2AgCl
_chemical_oxdiff_usercomment     'DCM/hexane, layering, -20 deg; 100K'
_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_max   0.802
_shelx_estimated_absorpt_t_min   0.649
_diffrn_oxdiff_digest_frames
;
017f03e5e0a585b0efe5c1562dfc91a1100002662b2
;
_diffrn_oxdiff_digest_hkl
;
01faeae3ea59fe116df9fb78e866e9c96ae95b
;
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C15(H15), C20(H20), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C19(H19A,H19B)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C26(H26), C27(H27), C28(H28), C29(H29), C35(H35),
 C34(H34), C33(H33), C32(H32)
2.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.217
_oxdiff_exptl_absorpt_empirical_full_min 0.815
loop_
_space_group_symop_operation_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_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 0.33249(2) 0.62516(2) 0.10184(2) 0.01503(7) Uani 1 1 d . . . . .
N1 N 0.37222(7) 0.53451(17) -0.02344(13) 0.0136(5) Uani 1 1 d . . . . .
N2 N 0.32613(8) 0.71125(19) 0.19860(14) 0.0183(5) Uani 1 1 d . . . . .
C1 C 0.33494(9) 0.5449(2) -0.00093(16) 0.0137(5) Uani 1 1 d . . . . .
C2 C 0.29584(9) 0.4969(2) -0.05883(16) 0.0143(5) Uani 1 1 d . . . . .
C3 C 0.29369(9) 0.5436(2) -0.14322(16) 0.0157(6) Uani 1 1 d . . . . .
H3A H 0.268995 0.512927 -0.183759 0.019 Uiso 1 1 calc R . . . .
H3B H 0.287672 0.615692 -0.141521 0.019 Uiso 1 1 calc R . . . .
C4 C 0.33818(9) 0.5270(2) -0.16798(16) 0.0169(6) Uani 1 1 d . . . . .
H4A H 0.332929 0.485625 -0.217251 0.020 Uiso 1 1 calc R . . . .
H4B H 0.350429 0.591677 -0.179968 0.020 Uiso 1 1 calc R . . . .
C5 C 0.37175(9) 0.4750(2) -0.09922(16) 0.0147(6) Uani 1 1 d . . . . .
C6 C 0.41275(9) 0.5832(2) 0.02327(16) 0.0154(6) Uani 1 1 d . . . . .
C7 C 0.44131(9) 0.5302(2) 0.08544(16) 0.0166(6) Uani 1 1 d . . . . .
C8 C 0.47770(10) 0.5810(2) 0.13199(18) 0.0214(6) Uani 1 1 d . . . . .
H8 H 0.497203 0.547087 0.175117 0.026 Uiso 1 1 calc R . . . .
C9 C 0.48640(10) 0.6795(2) 0.11742(19) 0.0238(7) Uani 1 1 d . . . . .
H9 H 0.511646 0.712267 0.149768 0.029 Uiso 1 1 calc R . . . .
C10 C 0.45777(10) 0.7296(2) 0.05508(19) 0.0237(7) Uani 1 1 d . . . . .
H10 H 0.463826 0.796844 0.044758 0.028 Uiso 1 1 calc R . . . .
C11 C 0.42014(10) 0.6833(2) 0.00696(17) 0.0180(6) Uani 1 1 d . . . . .
C12 C 0.38944(10) 0.7437(2) -0.05875(18) 0.0206(6) Uani 1 1 d . . . . .
H12 H 0.362613 0.702381 -0.082511 0.025 Uiso 1 1 calc R . . . .
C13 C 0.41282(11) 0.7697(3) -0.1263(2) 0.0289(7) Uani 1 1 d . . . . .
H13A H 0.439313 0.810008 -0.104097 0.043 Uiso 1 1 calc GR . . . .
H13B H 0.392297 0.807180 -0.168569 0.043 Uiso 1 1 calc GR . . . .
H13C H 0.421712 0.708378 -0.149162 0.043 Uiso 1 1 calc GR . . . .
C14 C 0.37383(11) 0.8383(2) -0.0241(2) 0.0264(7) Uani 1 1 d . . . . .
H14A H 0.361423 0.821203 0.021894 0.040 Uiso 1 1 calc GR . . . .
H14B H 0.350894 0.871037 -0.065641 0.040 Uiso 1 1 calc GR . . . .
H14C H 0.399198 0.883396 -0.006268 0.040 Uiso 1 1 calc GR . . . .
C15 C 0.43344(10) 0.4231(2) 0.10468(17) 0.0191(6) Uani 1 1 d . . . . .
H15 H 0.409606 0.396388 0.059333 0.023 Uiso 1 1 calc R . . . .
C16 C 0.41642(11) 0.4155(3) 0.18183(19) 0.0286(7) Uani 1 1 d . . . . .
H16A H 0.439329 0.440304 0.227631 0.043 Uiso 1 1 calc GR . . . .
H16B H 0.409759 0.346013 0.191272 0.043 Uiso 1 1 calc GR . . . .
H16C H 0.389288 0.455463 0.175858 0.043 Uiso 1 1 calc GR . . . .
C17 C 0.47522(11) 0.3584(2) 0.1112(2) 0.0282(7) Uani 1 1 d . . . . .
H17A H 0.486725 0.367645 0.062973 0.042 Uiso 1 1 calc GR . . . .
H17B H 0.467462 0.288460 0.115802 0.042 Uiso 1 1 calc GR . . . .
H17C H 0.498081 0.378039 0.159013 0.042 Uiso 1 1 calc GR . . . .
C18 C 0.41764(10) 0.4659(2) -0.11486(18) 0.0200(6) Uani 1 1 d . . . . .
H18A H 0.429450 0.532239 -0.120905 0.030 Uiso 1 1 calc GR . . . .
H18B H 0.415853 0.427667 -0.164356 0.030 Uiso 1 1 calc GR . . . .
H18C H 0.437443 0.431731 -0.069466 0.030 Uiso 1 1 calc GR . . . .
C19 C 0.35203(9) 0.3732(2) -0.08750(17) 0.0163(6) Uani 1 1 d . . . . .
H19A H 0.373113 0.336405 -0.044516 0.020 Uiso 1 1 calc R . . . .
H19B H 0.347805 0.334341 -0.137971 0.020 Uiso 1 1 calc R . . . .
C20 C 0.30665(9) 0.3841(2) -0.06434(16) 0.0154(6) Uani 1 1 d . . . . .
H20 H 0.283121 0.354469 -0.108758 0.018 Uiso 1 1 calc R . . . .
C21 C 0.30719(10) 0.3258(2) 0.01274(18) 0.0211(6) Uani 1 1 d . . . . .
H21A H 0.329750 0.353973 0.057504 0.032 Uiso 1 1 calc GR . . . .
H21B H 0.314347 0.256088 0.005125 0.032 Uiso 1 1 calc GR . . . .
H21C H 0.277811 0.330012 0.024978 0.032 Uiso 1 1 calc GR . . . .
C22 C 0.25190(9) 0.5149(2) -0.03170(17) 0.0170(6) Uani 1 1 d . . . . .
H22 H 0.257440 0.494748 0.026173 0.020 Uiso 1 1 calc R . . . .
C23 C 0.21214(10) 0.4542(3) -0.07831(19) 0.0247(7) Uani 1 1 d . . . . .
H23A H 0.205010 0.474042 -0.135136 0.037 Uiso 1 1 calc GR . . . .
H23B H 0.186297 0.466405 -0.055687 0.037 Uiso 1 1 calc GR . . . .
H23C H 0.219660 0.383404 -0.073958 0.037 Uiso 1 1 calc GR . . . .
C24 C 0.23852(10) 0.6249(2) -0.03672(19) 0.0228(6) Uani 1 1 d . . . . .
H24A H 0.265182 0.666035 -0.018372 0.034 Uiso 1 1 calc GR . . . .
H24B H 0.217781 0.637015 -0.002370 0.034 Uiso 1 1 calc GR . . . .
H24C H 0.224048 0.641821 -0.092608 0.034 Uiso 1 1 calc GR . . . .
C25 C 0.28721(10) 0.7237(2) 0.22409(17) 0.0202(6) Uani 1 1 d . . . . .
C26 C 0.24815(11) 0.6662(3) 0.20453(18) 0.0261(7) Uani 1 1 d . . . . .
H26 H 0.245763 0.611466 0.168630 0.031 Uiso 1 1 calc R . . . .
C27 C 0.21334(11) 0.6908(3) 0.23858(19) 0.0323(8) Uani 1 1 d . . . . .
H27 H 0.186819 0.652316 0.225600 0.039 Uiso 1 1 calc R . . . .
C28 C 0.21593(12) 0.7705(3) 0.29142(19) 0.0344(9) Uani 1 1 d . . . . .
H28 H 0.191364 0.785377 0.313924 0.041 Uiso 1 1 calc R . . . .
C29 C 0.25394(13) 0.8281(3) 0.31134(19) 0.0316(8) Uani 1 1 d . . . . .
H29 H 0.255593 0.882539 0.347298 0.038 Uiso 1 1 calc R . . . .
C30 C 0.29026(12) 0.8054(2) 0.27786(18) 0.0247(7) Uani 1 1 d . . . . .
C36 C 0.35442(11) 0.7860(2) 0.23497(18) 0.0227(6) Uani 1 1 d . . . . .
C35 C 0.39801(13) 0.8039(3) 0.2288(2) 0.0345(8) Uani 1 1 d . . . . .
H35 H 0.411396 0.763903 0.195230 0.041 Uiso 1 1 calc R . . . .
C34 C 0.42114(17) 0.8815(4) 0.2728(3) 0.0632(14) Uani 1 1 d . . . . .
H34 H 0.451076 0.894133 0.270476 0.076 Uiso 1 1 calc R . . . .
C33 C 0.4008(2) 0.9422(4) 0.3211(4) 0.0749(18) Uani 1 1 d . . . . .
H33 H 0.417112 0.996019 0.349858 0.090 Uiso 1 1 calc R . . . .
C32 C 0.35786(17) 0.9252(3) 0.3277(3) 0.0520(11) Uani 1 1 d . . . . .
H32 H 0.344701 0.966250 0.360847 0.062 Uiso 1 1 calc R . . . .
C31 C 0.33387(12) 0.8461(2) 0.28449(19) 0.0277(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'
Ag Ag -0.8971 1.1015 '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'
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
N2 Ag1 C1 175.61(10) . . ?
C1 N1 C5 118.5(2) . . ?
C1 N1 C6 119.3(2) . . ?
C6 N1 C5 122.2(2) . . ?
C25 N2 Ag1 125.1(2) . . ?
C36 N2 Ag1 126.8(2) . . ?
C36 N2 C25 105.9(2) . . ?
N1 C1 Ag1 121.1(2) . . ?
N1 C1 C2 112.6(2) . . ?
C2 C1 Ag1 126.21(19) . . ?
C1 C2 C3 106.5(2) . . ?
C1 C2 C20 107.8(2) . . ?
C1 C2 C22 110.9(2) . . ?
C3 C2 C20 107.4(2) . . ?
C22 C2 C3 111.4(2) . . ?
C22 C2 C20 112.5(2) . . ?
C4 C3 C2 110.5(2) . . ?
C5 C4 C3 109.7(2) . . ?
N1 C5 C4 106.2(2) . . ?
N1 C5 C19 106.5(2) . . ?
C18 C5 N1 112.0(2) . . ?
C18 C5 C4 113.1(2) . . ?
C18 C5 C19 111.7(2) . . ?
C19 C5 C4 106.9(2) . . ?
C7 C6 N1 119.0(3) . . ?
C7 C6 C11 122.3(3) . . ?
C11 C6 N1 118.5(2) . . ?
C6 C7 C15 123.0(3) . . ?
C8 C7 C6 117.4(3) . . ?
C8 C7 C15 119.6(3) . . ?
C9 C8 C7 122.1(3) . . ?
C10 C9 C8 119.1(3) . . ?
C9 C10 C11 121.5(3) . . ?
C6 C11 C12 123.8(3) . . ?
C10 C11 C6 117.5(3) . . ?
C10 C11 C12 118.7(3) . . ?
C11 C12 C13 110.7(2) . . ?
C11 C12 C14 111.0(3) . . ?
C14 C12 C13 110.3(3) . . ?
C7 C15 C16 110.9(3) . . ?
C7 C15 C17 112.4(3) . . ?
C16 C15 C17 110.7(3) . . ?
C5 C19 C20 111.1(2) . . ?
C19 C20 C2 109.0(2) . . ?
C21 C20 C2 113.9(2) . . ?
C21 C20 C19 110.2(2) . . ?
C23 C22 C2 114.3(2) . . ?
C23 C22 C24 108.3(2) . . ?
C24 C22 C2 112.1(2) . . ?
N2 C25 C26 128.3(3) . . ?
N2 C25 C30 111.6(3) . . ?
C26 C25 C30 120.1(3) . . ?
C27 C26 C25 118.6(3) . . ?
C26 C27 C28 121.9(4) . . ?
C29 C28 C27 120.5(3) . . ?
C28 C29 C30 119.4(3) . . ?
C25 C30 C31 105.3(3) . . ?
C29 C30 C25 119.6(3) . . ?
C29 C30 C31 135.2(3) . . ?
N2 C36 C35 127.6(3) . . ?
N2 C36 C31 111.0(3) . . ?
C35 C36 C31 121.4(3) . . ?
C34 C35 C36 118.1(4) . . ?
C35 C34 C33 120.7(4) . . ?
C32 C33 C34 121.5(4) . . ?
C33 C32 C31 118.8(4) . . ?
C36 C31 C30 106.2(3) . . ?
C32 C31 C30 134.5(3) . . ?
C32 C31 C36 119.3(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 N2 2.066(2) . ?
Ag1 C1 2.078(3) . ?
N1 C1 1.305(4) . ?
N1 C5 1.520(3) . ?
N1 C6 1.469(3) . ?
N2 C25 1.383(4) . ?
N2 C36 1.380(4) . ?
C1 C2 1.512(4) . ?
C2 C3 1.560(4) . ?
C2 C20 1.563(4) . ?
C2 C22 1.554(4) . ?
C3 C4 1.547(4) . ?
C4 C5 1.538(4) . ?
C5 C18 1.508(4) . ?
C5 C19 1.532(4) . ?
C6 C7 1.403(4) . ?
C6 C11 1.405(4) . ?
C7 C8 1.391(4) . ?
C7 C15 1.511(4) . ?
C8 C9 1.388(5) . ?
C9 C10 1.386(5) . ?
C10 C11 1.400(4) . ?
C11 C12 1.521(4) . ?
C12 C13 1.540(4) . ?
C12 C14 1.531(4) . ?
C15 C16 1.535(4) . ?
C15 C17 1.539(4) . ?
C19 C20 1.551(4) . ?
C20 C21 1.530(4) . ?
C22 C23 1.531(4) . ?
C22 C24 1.534(4) . ?
C25 C26 1.405(5) . ?
C25 C30 1.422(4) . ?
C26 C27 1.379(5) . ?
C27 C28 1.392(5) . ?
C28 C29 1.380(6) . ?
C29 C30 1.409(5) . ?
C30 C31 1.434(5) . ?
C36 C35 1.396(5) . ?
C36 C31 1.425(4) . ?
C35 C34 1.383(5) . ?
C34 C33 1.411(7) . ?
C33 C32 1.376(7) . ?
C32 C31 1.401(5) . ?
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
Ag1 N2 C25 C26 16.3(4) . . . . ?
Ag1 N2 C25 C30 -165.04(19) . . . . ?
Ag1 N2 C36 C35 -17.1(5) . . . . ?
Ag1 N2 C36 C31 164.4(2) . . . . ?
Ag1 C1 C2 C3 121.3(2) . . . . ?
Ag1 C1 C2 C20 -123.7(2) . . . . ?
Ag1 C1 C2 C22 -0.1(3) . . . . ?
N1 C1 C2 C3 -56.2(3) . . . . ?
N1 C1 C2 C20 58.8(3) . . . . ?
N1 C1 C2 C22 -177.6(2) . . . . ?
N1 C5 C19 C20 52.6(3) . . . . ?
N1 C6 C7 C8 -175.6(2) . . . . ?
N1 C6 C7 C15 2.7(4) . . . . ?
N1 C6 C11 C10 176.7(3) . . . . ?
N1 C6 C11 C12 -2.4(4) . . . . ?
N2 C25 C26 C27 178.5(3) . . . . ?
N2 C25 C30 C29 -178.7(3) . . . . ?
N2 C25 C30 C31 0.8(3) . . . . ?
N2 C36 C35 C34 -177.8(4) . . . . ?
N2 C36 C31 C30 0.0(3) . . . . ?
N2 C36 C31 C32 178.9(3) . . . . ?
C1 N1 C5 C4 58.7(3) . . . . ?
C1 N1 C5 C18 -177.3(2) . . . . ?
C1 N1 C5 C19 -54.9(3) . . . . ?
C1 N1 C6 C7 92.5(3) . . . . ?
C1 N1 C6 C11 -83.9(3) . . . . ?
C1 C2 C3 C4 57.6(3) . . . . ?
C1 C2 C20 C19 -54.6(3) . . . . ?
C1 C2 C20 C21 69.0(3) . . . . ?
C1 C2 C22 C23 -170.0(2) . . . . ?
C1 C2 C22 C24 66.3(3) . . . . ?
C2 C3 C4 C5 -3.4(3) . . . . ?
C3 C2 C20 C19 59.9(3) . . . . ?
C3 C2 C20 C21 -176.5(2) . . . . ?
C3 C2 C22 C23 71.6(3) . . . . ?
C3 C2 C22 C24 -52.1(3) . . . . ?
C3 C4 C5 N1 -50.6(3) . . . . ?
C3 C4 C5 C18 -173.8(2) . . . . ?
C3 C4 C5 C19 62.8(3) . . . . ?
C4 C5 C19 C20 -60.6(3) . . . . ?
C5 N1 C1 Ag1 -179.97(18) . . . . ?
C5 N1 C1 C2 -2.3(3) . . . . ?
C5 N1 C6 C7 -89.6(3) . . . . ?
C5 N1 C6 C11 94.0(3) . . . . ?
C5 C19 C20 C2 -1.0(3) . . . . ?
C5 C19 C20 C21 -126.7(2) . . . . ?
C6 N1 C1 Ag1 -2.0(3) . . . . ?
C6 N1 C1 C2 175.6(2) . . . . ?
C6 N1 C5 C4 -119.1(3) . . . . ?
C6 N1 C5 C18 4.8(4) . . . . ?
C6 N1 C5 C19 127.2(3) . . . . ?
C6 C7 C8 C9 -1.2(4) . . . . ?
C6 C7 C15 C16 -105.4(3) . . . . ?
C6 C7 C15 C17 130.2(3) . . . . ?
C6 C11 C12 C13 -112.5(3) . . . . ?
C6 C11 C12 C14 124.7(3) . . . . ?
C7 C6 C11 C10 0.5(4) . . . . ?
C7 C6 C11 C12 -178.7(3) . . . . ?
C7 C8 C9 C10 0.6(5) . . . . ?
C8 C7 C15 C16 72.9(3) . . . . ?
C8 C7 C15 C17 -51.5(4) . . . . ?
C8 C9 C10 C11 0.5(5) . . . . ?
C9 C10 C11 C6 -1.0(4) . . . . ?
C9 C10 C11 C12 178.2(3) . . . . ?
C10 C11 C12 C13 68.4(4) . . . . ?
C10 C11 C12 C14 -54.5(4) . . . . ?
C11 C6 C7 C8 0.6(4) . . . . ?
C11 C6 C7 C15 179.0(3) . . . . ?
C15 C7 C8 C9 -179.6(3) . . . . ?
C18 C5 C19 C20 175.2(2) . . . . ?
C20 C2 C3 C4 -57.7(3) . . . . ?
C20 C2 C22 C23 -49.1(3) . . . . ?
C20 C2 C22 C24 -172.8(2) . . . . ?
C22 C2 C3 C4 178.6(2) . . . . ?
C22 C2 C20 C19 -177.2(2) . . . . ?
C22 C2 C20 C21 -53.6(3) . . . . ?
C25 N2 C36 C35 179.0(3) . . . . ?
C25 N2 C36 C31 0.5(3) . . . . ?
C25 C26 C27 C28 -0.1(5) . . . . ?
C25 C30 C31 C36 -0.5(3) . . . . ?
C25 C30 C31 C32 -179.1(4) . . . . ?
C26 C25 C30 C29 0.1(4) . . . . ?
C26 C25 C30 C31 179.7(3) . . . . ?
C26 C27 C28 C29 0.2(5) . . . . ?
C27 C28 C29 C30 -0.2(5) . . . . ?
C28 C29 C30 C25 0.0(4) . . . . ?
C28 C29 C30 C31 -179.4(3) . . . . ?
C29 C30 C31 C36 179.0(3) . . . . ?
C29 C30 C31 C32 0.3(7) . . . . ?
C30 C25 C26 C27 -0.1(4) . . . . ?
C36 N2 C25 C26 -179.5(3) . . . . ?
C36 N2 C25 C30 -0.8(3) . . . . ?
C36 C35 C34 C33 -1.4(8) . . . . ?
C35 C36 C31 C30 -178.7(3) . . . . ?
C35 C36 C31 C32 0.2(5) . . . . ?
C35 C34 C33 C32 1.5(10) . . . . ?
C34 C33 C32 C31 -0.6(9) . . . . ?
C33 C32 C31 C30 178.3(5) . . . . ?
C33 C32 C31 C36 -0.2(7) . . . . ?
C31 C36 C35 C34 0.6(6) . . . . ?
