#------------------------------------------------------------------------------
#$Date: 2021-03-05 02:55:55 +0100 (vie 05 de mar de 2021) $
#$Revision: 262607 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/65/7706543.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_7706543
loop_
_publ_author_name
'Mikhaylov, Vladimir N.'
'Kazakov, Igor V.'
'Parfeniuk, Tatiana N.'
'Khoroshilova, Olesya V.'
'Scheer, Manfred'
'Timoshkin, Alexey Y.'
'Balova, Irina A.'
_publ_section_title
;
 The carbene transfer to strong Lewis acids: copper is better than silver.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2872
_journal_page_last               2879
_journal_paper_doi               10.1039/d1dt00235j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C54 H72 Ag N4, Cl4 In'
_chemical_formula_sum            'C54 H72 Ag Cl4 In N4'
_chemical_formula_weight         1141.64
_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     dual
_audit_creation_date             2019-05-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-04-16 deposited with the CCDC.	2021-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.5030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.9667(2)
_cell_length_b                   18.3327(2)
_cell_length_c                   18.2364(3)
_cell_measurement_reflns_used    20487
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.2560
_cell_measurement_theta_min      3.5460
_cell_volume                     5577.31(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.50a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.50a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.50a (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 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00 -26.00   0.50    0.51    --  -38.95 117.00 154.00  116
  2  ω   -101.00 -54.00   0.50    0.51    --  -38.95-162.00 -83.00   94
  3  ω    -92.00 -67.00   0.50    0.51    --  -38.95 162.00 -55.00   50
  4  ω     53.00  78.00   0.50    0.51    --   38.95 162.00 -55.00   50
  5  ω     44.00  69.00   0.50    0.51    --   38.95-162.00 -83.00   50
  6  ω     41.00  67.00   0.50    0.51    --   38.95-117.00  66.00   52
  7  ω     72.00 110.00   0.50    2.04    --  100.00-117.00  66.00   76
  8  ω    115.00 157.00   0.50    2.04    --  100.00 117.00 154.00   84
  9  ω     66.00  96.00   0.50    2.04    --  100.00 162.00 -55.00   60
 10  ω     87.00 112.00   0.50    2.04    --  100.00-162.00 -83.00   50
 11  ω    -18.00  30.00   0.50    0.51    --  -38.95  32.00 -60.00   96
 12  ω     -2.00  25.00   0.50    0.51    --  -38.95  32.00 150.00   54
 13  ω    -52.00  -8.00   0.50    0.51    --  -38.95  32.00 150.00   88
 14  ω    -52.00 -26.00   0.50    0.51    --  -38.95  32.00 -60.00   52
 15  ω    -55.00  24.00   0.50    0.51    --  -38.95  65.00-180.00  158
 16  ω   -104.00 -27.00   0.50    0.51    --  -38.95 -43.00  30.00  154
 17  ω     34.00  85.00   0.50    0.51    --   38.95  32.00 -90.00  102
 18  ω     36.00  62.00   0.50    0.51    --   38.95  43.00 150.00   52
 19  ω     27.00 108.00   0.50    0.51    --   38.95  32.00   0.00  162
 20  ω     22.00  94.00   0.50    0.51    --   38.95-138.00  60.00  144
 21  ω    112.00 152.00   0.50    2.04    --  100.00 111.00   0.00   80
 22  ω     68.00  96.00   0.50    2.04    --  100.00 -86.00   0.00   56
 23  ω     86.00 136.00   0.50    2.04    --  100.00  30.00   0.00  100
 24  ω     66.00 109.00   0.50    2.04    --  100.00-111.00  90.00   86
 25  ω     86.00 155.00   0.50    2.04    --  100.00  15.00-150.00  138
 26  ω     33.00  80.00   0.50    2.04    --  100.00 -93.00-180.00   94
 27  ω     26.00 108.00   0.50    2.04    --  100.00 -93.00-120.00  164
 28  ω     87.00 157.00   0.50    2.04    --  100.00  45.00 -60.00  140
 29  ω     80.00 130.00   0.50    2.04    --  100.00 -86.00  60.00  100
 30  ω     37.00 124.00   0.50    2.04    --  100.00 -69.00-120.00  174
 31  ω     35.00  74.00   0.50    2.04    --  100.00 -30.00   0.00   78
 32  ω     79.00 113.00   0.50    2.04    --  100.00 -30.00   0.00   68
 33  ω     37.00  82.00   0.50    2.04    --  100.00-133.00 150.00   90
 34  ω     35.00  77.00   0.50    2.04    --  100.00 -86.00  60.00   84
 35  ω     73.00 154.00   0.50    2.04    --  100.00  77.00-180.00  162
 36  ω     98.00 144.00   0.50    2.04    --  100.00  30.00 -30.00   92
 37  ω     76.00 117.00   0.50    2.04    --  100.00-133.00-120.00   82
 38  ω     27.00  68.00   0.50    2.04    --  100.00 -15.00-150.00   82
 39  ω     91.00 116.00   0.50    2.04    --  100.00 -22.00   0.00   50
 40  ω     44.00  83.00   0.50    2.04    --  100.00 -22.00   0.00   78
 41  ω     74.00 100.00   0.50    2.04    --  100.00-162.00 -83.00   52
 42  ω    -42.00 -16.00   0.50    0.51    --  -38.95  54.00 150.00   52
 43  ω    -59.00 -31.00   0.50    0.51    --  -38.95  21.00 -60.00   56
 44  ω      8.00  33.00   0.50    0.51    --  -38.95  21.00 -60.00   50
 45  ω     -9.00  49.00   0.50    0.51    --   38.95 -43.00-150.00  116
 46  ω     19.00  48.00   0.50    0.51    --   38.95-104.00 -60.00   58
 47  ω     80.00 105.00   0.50    0.51    --   38.95  32.00 120.00   50
 48  ω     47.00  73.00   0.50    0.51    --   38.95-138.00-180.00   52
 49  ω    -13.00  13.00   0.50    0.51    --   38.95-104.00 -60.00   52
 50  ω     35.00  61.00   0.50    2.04    --  100.00 -77.00 -60.00   52
 51  ω     36.00  69.00   0.50    2.04    --  100.00 -45.00 -30.00   66
 52  ω     77.00 124.00   0.50    2.04    --  100.00 -69.00  30.00   94
 53  ω     93.00 118.00   0.50    2.04    --  100.00 -45.00 -30.00   50
 54  ω    102.00 127.00   0.50    2.04    --  100.00 -77.00 -60.00   50
 55  ω    113.00 151.00   0.50    2.04    --  100.00  30.00  30.00   76
 56  ω     28.00  71.00   0.50    2.04    --  100.00 -22.00  90.00   86
 57  ω     84.00 120.00   0.50    2.04    --  100.00-133.00  30.00   72
 58  ω     84.00 137.00   0.50    2.04    --  100.00  45.00-120.00  106
 59  ω     85.00 132.00   0.50    2.04    --  100.00  53.00 120.00   94
 60  ω     72.00 117.00   0.50    2.04    --  100.00 -53.00  90.00   90
 61  ω     80.00 157.00   0.50    2.04    --  100.00  53.00  90.00  154
 62  ω    111.00 137.00   0.50    2.04    --  100.00  45.00  30.00   52
 63  ω     98.00 123.00   0.50    2.04    --  100.00-133.00-150.00   50
 64  ω     91.00 138.00   0.50    2.04    --  100.00 111.00  30.00   94
 65  ω     91.00 132.00   0.50    2.04    --  100.00 111.00 120.00   82
 66  ω     70.00  96.00   0.50    2.04    --  100.00  15.00 -60.00   52
 67  ω    119.00 145.00   0.50    2.04    --  100.00  15.00 -60.00   52
 68  ω     48.00  73.00   0.50    2.04    --  100.00 -22.00-120.00   50
 69  ω     99.00 125.00   0.50    2.04    --  100.00  22.00-120.00   52
 70  ω     59.00  85.00   0.50    2.04    --  100.00-111.00  60.00   52
 71  ω     84.00 110.00   0.50    2.04    --  100.00-111.00-180.00   52
 72  ω     67.00 109.00   0.50    2.04    --  100.00-111.00-120.00   84
 73  ω     67.00 110.00   0.50    2.04    --  100.00-133.00  60.00   86
 74  ω     41.00 116.00   0.50    2.04    --  100.00 -45.00  60.00  150
 75  ω     98.00 123.00   0.50    2.04    --  100.00-133.00  90.00   50
 76  ω    104.00 130.00   0.50    2.04    --  100.00 -86.00  90.00   52
 77  ω     85.00 115.00   0.50    2.04    --  100.00 -37.00-120.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0520422000
_diffrn_orient_matrix_UB_12      -0.0288620000
_diffrn_orient_matrix_UB_13      -0.0723051000
_diffrn_orient_matrix_UB_21      -0.0069906000
_diffrn_orient_matrix_UB_22      0.0779140000
_diffrn_orient_matrix_UB_23      -0.0322194000
_diffrn_orient_matrix_UB_31      0.0759246000
_diffrn_orient_matrix_UB_32      -0.0126250000
_diffrn_orient_matrix_UB_33      -0.0334645000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30987
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.344
_diffrn_reflns_theta_min         3.582
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    8.158
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_description       plate
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5329
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0371P)²+10.9757P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0730
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5110
_reflns_number_total             5329
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00235j2.cif
_cod_data_source_block           iprincl3
_cod_depositor_comments
'Adding full bibliography for 7706540--7706543.cif.'
_cod_database_code               7706543
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C27 H36 N2 In Cl3'
_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   0.441
_shelx_estimated_absorpt_t_min   0.174
_reflns_odcompleteness_completeness 96.23
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     72.42
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C22(H22), C25(H25), C16(H16), C19(H19)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C2(H2), C13(H13), C12(H12), C14(H14), C6(H6), C8(H8), C7(H7)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C23(H23A,H23B,H23C), C18(H18A,H18B,H18C), C17(H17A,H17B,
 H17C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C20(H20A,H20B,H20C), C21(H21A,
 H21B,H21C)
;
_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 1.803
_oxdiff_exptl_absorpt_empirical_full_min 0.721
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 0.5000 0.26631(2) 0.2500 0.01582(7) Uani 1 2 d S T P . .
In1 In 0.5000 0.24912(2) 0.7500 0.02430(8) Uani 1 2 d S T P . .
Cl2 Cl 0.59598(4) 0.32249(3) 0.82580(4) 0.03943(16) Uani 1 1 d . . . . .
Cl1 Cl 0.56519(4) 0.17362(4) 0.67561(3) 0.03615(15) Uani 1 1 d . . . . .
N2 N 0.47618(10) 0.32274(10) 0.40709(10) 0.0179(4) Uani 1 1 d . . . . .
N1 N 0.51258(11) 0.21119(10) 0.41427(10) 0.0188(4) Uani 1 1 d . . . . .
C3 C 0.48190(14) 0.30255(13) 0.48088(13) 0.0231(5) Uani 1 1 d . . . . .
H3 H 0.4717 0.3325 0.5206 0.028 Uiso 1 1 calc R . . . .
C1 C 0.49497(13) 0.26672(11) 0.36490(12) 0.0176(4) Uani 1 1 d . . . . .
C22 C 0.58605(13) 0.44459(12) 0.40637(12) 0.0212(4) Uani 1 1 d . . . . .
H22 H 0.5974 0.3966 0.4323 0.025 Uiso 1 1 calc R . . . .
C2 C 0.50473(14) 0.23220(13) 0.48541(13) 0.0235(5) Uani 1 1 d . . . . .
H2 H 0.5137 0.2027 0.5290 0.028 Uiso 1 1 calc R . . . .
C10 C 0.44427(13) 0.39261(12) 0.37946(12) 0.0190(4) Uani 1 1 d . . . . .
C4 C 0.53100(14) 0.13716(12) 0.39603(12) 0.0210(4) Uani 1 1 d . . . . .
C15 C 0.49619(13) 0.45173(12) 0.38080(12) 0.0198(4) Uani 1 1 d . . . . .
C13 C 0.38032(14) 0.52585(13) 0.33202(13) 0.0238(5) Uani 1 1 d . . . . .
H13 H 0.3584 0.5719 0.3153 0.029 Uiso 1 1 calc R . . . .
C12 C 0.32985(13) 0.46630(13) 0.33294(13) 0.0232(5) Uani 1 1 d . . . . .
H12 H 0.2737 0.4722 0.3173 0.028 Uiso 1 1 calc R . . . .
C14 C 0.46216(14) 0.51873(13) 0.35524(13) 0.0231(5) Uani 1 1 d . . . . .
H14 H 0.4958 0.5599 0.3538 0.028 Uiso 1 1 calc R . . . .
C11 C 0.36072(13) 0.39778(12) 0.35659(12) 0.0206(4) Uani 1 1 d . . . . .
C25 C 0.30550(14) 0.33267(13) 0.35629(14) 0.0259(5) Uani 1 1 d . . . . .
H25 H 0.3374 0.2931 0.3857 0.031 Uiso 1 1 calc R . . . .
C5 C 0.46675(14) 0.09036(13) 0.36874(13) 0.0249(5) Uani 1 1 d . . . . .
C9 C 0.61085(14) 0.11452(13) 0.41087(13) 0.0250(5) Uani 1 1 d . . . . .
C24 C 0.62026(15) 0.50529(14) 0.46049(15) 0.0280(5) Uani 1 1 d . . . . .
H24A H 0.6131 0.5524 0.4348 0.042 Uiso 1 1 calc GR . . . .
H24B H 0.6775 0.4966 0.4785 0.042 Uiso 1 1 calc GR . . . .
H24C H 0.5921 0.5058 0.5029 0.042 Uiso 1 1 calc GR . . . .
C16 C 0.67902(14) 0.16433(13) 0.44636(15) 0.0284(5) Uani 1 1 d . . . . .
H16 H 0.6584 0.2155 0.4436 0.034 Uiso 1 1 calc R . . . .
C6 C 0.48555(17) 0.01858(14) 0.35368(16) 0.0315(6) Uani 1 1 d . . . . .
H6 H 0.4438 -0.0144 0.3339 0.038 Uiso 1 1 calc R . . . .
C8 C 0.62590(16) 0.04170(14) 0.39616(15) 0.0319(5) Uani 1 1 d . . . . .
H8 H 0.6794 0.0241 0.4062 0.038 Uiso 1 1 calc R . . . .
C19 C 0.37991(15) 0.11477(14) 0.35971(15) 0.0297(5) Uani 1 1 d . . . . .
H19 H 0.3786 0.1690 0.3540 0.036 Uiso 1 1 calc R . . . .
C23 C 0.62686(14) 0.44551(17) 0.33807(14) 0.0343(6) Uani 1 1 d . . . . .
H23A H 0.6041 0.4069 0.3034 0.051 Uiso 1 1 calc GR . . . .
H23B H 0.6845 0.4373 0.3539 0.051 Uiso 1 1 calc GR . . . .
H23C H 0.6180 0.4929 0.3131 0.051 Uiso 1 1 calc GR . . . .
C7 C 0.56426(18) -0.00533(14) 0.36718(17) 0.0349(6) Uani 1 1 d . . . . .
H7 H 0.5760 -0.0544 0.3565 0.042 Uiso 1 1 calc R . . . .
C18 C 0.70517(16) 0.14442(16) 0.52875(16) 0.0381(6) Uani 1 1 d . . . . .
H18A H 0.6606 0.1527 0.5552 0.057 Uiso 1 1 calc GR . . . .
H18B H 0.7509 0.1748 0.5508 0.057 Uiso 1 1 calc GR . . . .
H18C H 0.7208 0.0929 0.5330 0.057 Uiso 1 1 calc GR . . . .
C17 C 0.75098(16) 0.16153(16) 0.40627(18) 0.0398(6) Uani 1 1 d . . . . .
H17A H 0.7733 0.1121 0.4096 0.060 Uiso 1 1 calc GR . . . .
H17B H 0.7921 0.1960 0.4299 0.060 Uiso 1 1 calc GR . . . .
H17C H 0.7336 0.1748 0.3537 0.060 Uiso 1 1 calc GR . . . .
C26 C 0.27801(18) 0.30368(18) 0.27721(17) 0.0429(7) Uani 1 1 d . . . . .
H26A H 0.2447 0.3405 0.2472 0.064 Uiso 1 1 calc GR . . . .
H26B H 0.2467 0.2590 0.2790 0.064 Uiso 1 1 calc GR . . . .
H26C H 0.3250 0.2930 0.2547 0.064 Uiso 1 1 calc GR . . . .
C27 C 0.2348(2) 0.3491(2) 0.3940(3) 0.0637(11) Uani 1 1 d . . . . .
H27A H 0.2544 0.3670 0.4447 0.096 Uiso 1 1 calc GR . . . .
H27B H 0.2035 0.3045 0.3964 0.096 Uiso 1 1 calc GR . . . .
H27C H 0.2008 0.3863 0.3654 0.096 Uiso 1 1 calc GR . . . .
C20 C 0.3269(2) 0.0823(3) 0.2917(2) 0.0677(12) Uani 1 1 d . . . . .
H20A H 0.3506 0.0916 0.2475 0.101 Uiso 1 1 calc GR . . . .
H20B H 0.2736 0.1047 0.2851 0.101 Uiso 1 1 calc GR . . . .
H20C H 0.3221 0.0296 0.2986 0.101 Uiso 1 1 calc GR . . . .
C21 C 0.3456(2) 0.0959(3) 0.4286(2) 0.0806(15) Uani 1 1 d . . . . .
H21A H 0.3452 0.0428 0.4348 0.121 Uiso 1 1 calc GR . . . .
H21B H 0.2907 0.1146 0.4229 0.121 Uiso 1 1 calc GR . . . .
H21C H 0.3787 0.1182 0.4726 0.121 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In 0.0822 5.0449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
C1 Ag1 C1 179.58(11) 2_655 . ?
Cl2 In1 Cl2 110.38(3) 2_656 . ?
Cl1 In1 Cl2 110.19(3) 2_656 . ?
Cl1 In1 Cl2 110.19(3) . 2_656 ?
Cl1 In1 Cl2 109.09(2) . . ?
Cl1 In1 Cl2 109.09(2) 2_656 2_656 ?
Cl1 In1 Cl1 107.86(3) 2_656 . ?
C3 N2 C10 122.16(18) . . ?
C1 N2 C3 111.58(18) . . ?
C1 N2 C10 125.84(18) . . ?
C1 N1 C2 111.50(18) . . ?
C1 N1 C4 125.67(18) . . ?
C2 N1 C4 122.65(18) . . ?
N2 C3 H3 126.7 . . ?
C2 C3 N2 106.6(2) . . ?
C2 C3 H3 126.7 . . ?
N2 C1 Ag1 128.46(15) . . ?
N2 C1 N1 103.77(18) . . ?
N1 C1 Ag1 127.74(15) . . ?
C15 C22 H22 108.5 . . ?
C15 C22 C24 112.18(18) . . ?
C15 C22 C23 109.10(18) . . ?
C24 C22 H22 108.5 . . ?
C24 C22 C23 110.0(2) . . ?
C23 C22 H22 108.5 . . ?
N1 C2 H2 126.7 . . ?
C3 C2 N1 106.6(2) . . ?
C3 C2 H2 126.7 . . ?
C15 C10 N2 119.19(19) . . ?
C15 C10 C11 123.5(2) . . ?
C11 C10 N2 117.16(19) . . ?
C5 C4 N1 117.9(2) . . ?
C9 C4 N1 118.5(2) . . ?
C9 C4 C5 123.4(2) . . ?
C10 C15 C22 122.3(2) . . ?
C10 C15 C14 117.1(2) . . ?
C14 C15 C22 120.6(2) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C14 C13 C12 120.6(2) . . ?
C13 C12 H12 119.6 . . ?
C13 C12 C11 120.8(2) . . ?
C11 C12 H12 119.6 . . ?
C15 C14 H14 119.5 . . ?
C13 C14 C15 121.0(2) . . ?
C13 C14 H14 119.5 . . ?
C10 C11 C25 122.5(2) . . ?
C12 C11 C10 116.9(2) . . ?
C12 C11 C25 120.6(2) . . ?
C11 C25 H25 107.2 . . ?
C11 C25 C26 111.1(2) . . ?
C11 C25 C27 112.4(2) . . ?
C26 C25 H25 107.2 . . ?
C27 C25 H25 107.2 . . ?
C27 C25 C26 111.5(3) . . ?
C4 C5 C19 122.2(2) . . ?
C6 C5 C4 117.1(2) . . ?
C6 C5 C19 120.6(2) . . ?
C4 C9 C16 122.7(2) . . ?
C8 C9 C4 116.9(2) . . ?
C8 C9 C16 120.3(2) . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C9 C16 H16 108.0 . . ?
C9 C16 C18 109.6(2) . . ?
C9 C16 C17 112.7(2) . . ?
C18 C16 H16 108.0 . . ?
C18 C16 C17 110.3(2) . . ?
C17 C16 H16 108.0 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(2) . . ?
C7 C6 H6 119.6 . . ?
C9 C8 H8 119.4 . . ?
C7 C8 C9 121.2(2) . . ?
C7 C8 H8 119.4 . . ?
C5 C19 H19 107.9 . . ?
C20 C19 C5 113.1(2) . . ?
C20 C19 H19 107.9 . . ?
C20 C19 C21 109.1(3) . . ?
C21 C19 C5 110.7(2) . . ?
C21 C19 H19 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.5(2) . . ?
C8 C7 H7 119.7 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
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 C1 2.113(2) 2_655 ?
Ag1 C1 2.113(2) . ?
In1 Cl2 2.3561(6) . ?
In1 Cl2 2.3560(6) 2_656 ?
In1 Cl1 2.3509(6) 2_656 ?
In1 Cl1 2.3509(6) . ?
N2 C3 1.382(3) . ?
N2 C1 1.356(3) . ?
N2 C10 1.445(3) . ?
N1 C1 1.356(3) . ?
N1 C2 1.383(3) . ?
N1 C4 1.445(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.345(3) . ?
C22 H22 1.0000 . ?
C22 C15 1.517(3) . ?
C22 C24 1.530(3) . ?
C22 C23 1.531(3) . ?
C2 H2 0.9500 . ?
C10 C15 1.394(3) . ?
C10 C11 1.406(3) . ?
C4 C5 1.405(3) . ?
C4 C9 1.395(3) . ?
C15 C14 1.400(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.389(4) . ?
C13 C14 1.382(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.399(3) . ?
C14 H14 0.9500 . ?
C11 C25 1.517(3) . ?
C25 H25 1.0000 . ?
C25 C26 1.528(4) . ?
C25 C27 1.518(4) . ?
C5 C6 1.393(3) . ?
C5 C19 1.520(3) . ?
C9 C16 1.522(3) . ?
C9 C8 1.394(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C18 1.531(4) . ?
C16 C17 1.534(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(4) . ?
C8 H8 0.9500 . ?
C8 C7 1.384(4) . ?
C19 H19 1.0000 . ?
C19 C20 1.514(4) . ?
C19 C21 1.518(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C7 H7 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
