#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:05:05 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300576 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/42/1574223.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_1574223
loop_
_publ_author_name
'Dang, Vinh Q.'
'Jiang, Chenggang'
'Teets, Thomas S.'
_publ_section_title
;
 Enhanced blue phosphorescence in platinum acetylide complexes via a
 secondary heavy metal and anion-controlled aggregation
;
_journal_issue                   17
_journal_name_full               'Chemical Science'
_journal_page_first              7302
_journal_page_last               7310
_journal_paper_doi               10.1039/D5SC00172B
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C50 H56 Ag2 Cl4 F12 N8 P2 Pt2'
_chemical_formula_weight         1806.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-11-08 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.158(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.611(5)
_cell_length_b                   13.011(6)
_cell_length_c                   21.235(9)
_cell_measurement_reflns_used    3136
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      24.37
_cell_measurement_theta_min      2.20
_cell_volume                     3147(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15284
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.028
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.845
_exptl_absorpt_coefficient_mu    5.340
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_description       Block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.939
_refine_diff_density_min         -1.936
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0100P)²+37.2103P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.0988
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4517
_reflns_number_total             5558
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc00172b2.cif
_cod_data_source_block           1-AgPF6
_cod_depositor_comments
'Adding full bibliography for 1574222--1574225.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574223
_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   0.400
_shelx_estimated_absorpt_t_max   0.675
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
P1S P 0.2453(2) 0.86319(18) 0.63280(11) 0.0228(5) Uani 1 1 d . . . . .
Ag1 Ag 0.54487(6) 0.38424(6) 0.46269(3) 0.03041(19) Uani 1 1 d . . . . .
Pt1 Pt 0.19918(3) 0.53341(3) 0.50820(2) 0.01896(10) Uani 1 1 d . . . . .
Cl1S Cl 0.2915(3) 0.1364(3) 0.3425(2) 0.0756(11) Uani 1 1 d . . . . .
Cl2S Cl 0.3286(3) 0.2961(3) 0.25376(18) 0.0710(10) Uani 1 1 d . . . . .
F1S F 0.2767(5) 0.8310(5) 0.7067(3) 0.0478(16) Uani 1 1 d . . . . .
F2S F 0.2131(5) 0.8970(4) 0.5594(2) 0.0331(13) Uani 1 1 d . . . . .
F3S F 0.3810(5) 0.8602(5) 0.6286(3) 0.0483(16) Uani 1 1 d . . . . .
F4S F 0.1087(5) 0.8678(5) 0.6364(3) 0.0416(15) Uani 1 1 d . . . . .
F5S F 0.2315(6) 0.7452(4) 0.6125(3) 0.0479(16) Uani 1 1 d . . . . .
F6S F 0.2578(5) 0.9822(4) 0.6525(3) 0.0435(15) Uani 1 1 d . . . . .
N1 N 0.0594(6) 0.7282(5) 0.4518(3) 0.0213(16) Uani 1 1 d . . . . .
N2 N 0.0676(6) 0.5408(6) 0.6234(3) 0.0233(16) Uani 1 1 d . . . . .
N3 N 0.5224(6) 0.4599(6) 0.3684(3) 0.0215(16) Uani 1 1 d . . . . .
N4 N 0.5179(6) 0.2481(6) 0.5191(3) 0.0236(17) Uani 1 1 d . . . . .
C1S C 0.3695(11) 0.2477(10) 0.3333(7) 0.071(4) Uani 1 1 d . . . . .
H1SA H 0.4546 0.2326 0.3427 0.086 Uiso 1 1 calc R U . . .
H1SB H 0.3536 0.3004 0.3641 0.086 Uiso 1 1 calc R U . . .
C10 C 0.1122(8) 0.6587(7) 0.4734(4) 0.025(2) Uani 1 1 d . . . . .
C11 C -0.0800(9) 0.8521(7) 0.4759(5) 0.033(2) Uani 1 1 d . . . . .
H11A H -0.1307 0.9104 0.4598 0.050 Uiso 1 1 calc R U . . .
H11B H -0.1282 0.7957 0.4873 0.050 Uiso 1 1 calc R U . . .
H11C H -0.0231 0.8733 0.5140 0.050 Uiso 1 1 calc R U . . .
C12 C 0.0668(8) 0.8983(8) 0.4063(5) 0.033(2) Uani 1 1 d . . . . .
H12A H 0.0202 0.9575 0.3876 0.050 Uiso 1 1 calc R U . . .
H12B H 0.1219 0.9200 0.4450 0.050 Uiso 1 1 calc R U . . .
H12C H 0.1106 0.8705 0.3751 0.050 Uiso 1 1 calc R U . . .
C13 C -0.0987(8) 0.7762(7) 0.3646(5) 0.033(2) Uani 1 1 d . . . . .
H13A H -0.1491 0.8326 0.3449 0.050 Uiso 1 1 calc R U . . .
H13B H -0.0536 0.7494 0.3336 0.050 Uiso 1 1 calc R U . . .
H13C H -0.1475 0.7213 0.3771 0.050 Uiso 1 1 calc R U . . .
C14 C -0.0147(7) 0.8158(7) 0.4238(4) 0.025(2) Uani 1 1 d . . . . .
C20 C 0.1143(7) 0.5331(7) 0.5802(4) 0.0214(19) Uani 1 1 d . . . . .
C21 C -0.0843(8) 0.6499(7) 0.6474(5) 0.030(2) Uani 1 1 d . . . . .
H21A H -0.1268 0.6723 0.6806 0.046 Uiso 1 1 calc R U . . .
H21B H -0.0458 0.7092 0.6319 0.046 Uiso 1 1 calc R U . . .
H21C H -0.1396 0.6192 0.6116 0.046 Uiso 1 1 calc R U . . .
C22 C 0.0996(9) 0.6185(8) 0.7284(5) 0.037(2) Uani 1 1 d . . . . .
H22A H 0.0625 0.6395 0.7640 0.056 Uiso 1 1 calc R U . . .
H22B H 0.1614 0.5681 0.7436 0.056 Uiso 1 1 calc R U . . .
H22C H 0.1340 0.6788 0.7114 0.056 Uiso 1 1 calc R U . . .
C23 C -0.0453(9) 0.4751(8) 0.6990(5) 0.036(2) Uani 1 1 d . . . . .
H23A H -0.0857 0.4935 0.7339 0.054 Uiso 1 1 calc R U . . .
H23B H -0.1016 0.4445 0.6636 0.054 Uiso 1 1 calc R U . . .
H23C H 0.0171 0.4254 0.7148 0.054 Uiso 1 1 calc R U . . .
C24 C 0.0077(8) 0.5707(7) 0.6755(4) 0.025(2) Uani 1 1 d . . . . .
C30 C 0.2985(8) 0.5399(6) 0.4416(4) 0.0239(19) Uani 1 1 d . . . . .
C31 C 0.3614(7) 0.5387(7) 0.4025(4) 0.0233(19) Uani 1 1 d . . . . .
C32 C 0.4376(7) 0.5329(7) 0.3567(4) 0.0191(18) Uani 1 1 d . . . . .
C33 C 0.4247(8) 0.5972(8) 0.3039(5) 0.033(2) Uani 1 1 d . . . . .
H33A H 0.3646 0.6478 0.2969 0.040 Uiso 1 1 calc R U . . .
C34 C 0.5006(8) 0.5866(8) 0.2616(5) 0.034(2) Uani 1 1 d . . . . .
H34A H 0.4944 0.6307 0.2254 0.040 Uiso 1 1 calc R U . . .
C35 C 0.5854(8) 0.5113(7) 0.2727(4) 0.030(2) Uani 1 1 d . . . . .
H35A H 0.6377 0.5016 0.2439 0.036 Uiso 1 1 calc R U . . .
C36 C 0.5930(8) 0.4500(7) 0.3266(4) 0.026(2) Uani 1 1 d . . . . .
H36A H 0.6519 0.3983 0.3340 0.032 Uiso 1 1 calc R U . . .
C40 C 0.2871(7) 0.4055(7) 0.5340(4) 0.023(2) Uani 1 1 d . . . . .
C41 C 0.3493(7) 0.3282(7) 0.5434(4) 0.0200(19) Uani 1 1 d . . . . .
C42 C 0.4285(7) 0.2441(7) 0.5515(4) 0.0195(19) Uani 1 1 d . . . . .
C43 C 0.4142(8) 0.1600(7) 0.5899(5) 0.029(2) Uani 1 1 d . . . . .
H43A H 0.3497 0.1573 0.6114 0.034 Uiso 1 1 calc R U . . .
C44 C 0.4945(8) 0.0805(8) 0.5964(5) 0.037(3) Uani 1 1 d . . . . .
H44A H 0.4868 0.0232 0.6231 0.044 Uiso 1 1 calc R U . . .
C45 C 0.5861(9) 0.0857(8) 0.5637(5) 0.039(3) Uani 1 1 d . . . . .
H45A H 0.6422 0.0319 0.5671 0.046 Uiso 1 1 calc R U . . .
C46 C 0.5943(8) 0.1687(7) 0.5268(5) 0.031(2) Uani 1 1 d . . . . .
H46A H 0.6580 0.1715 0.5047 0.037 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
F2S P1S F5S 90.6(3) . . ?
F2S P1S F3S 90.0(3) . . ?
F5S P1S F3S 90.6(4) . . ?
F2S P1S F1S 179.0(4) . . ?
F5S P1S F1S 90.3(3) . . ?
F3S P1S F1S 90.5(3) . . ?
F2S P1S F6S 88.9(3) . . ?
F5S P1S F6S 179.3(4) . . ?
F3S P1S F6S 89.9(3) . . ?
F1S P1S F6S 90.3(3) . . ?
F2S P1S F4S 89.4(3) . . ?
F5S P1S F4S 90.0(3) . . ?
F3S P1S F4S 179.2(4) . . ?
F1S P1S F4S 90.1(3) . . ?
F6S P1S F4S 89.5(3) . . ?
N4 Ag1 N3 148.6(3) . . ?
N4 Ag1 C30 91.8(3) . 3_666 ?
N3 Ag1 C30 118.4(3) . 3_666 ?
N4 Ag1 Pt1 113.70(19) . 3_666 ?
N3 Ag1 Pt1 88.14(18) . 3_666 ?
C30 Ag1 Pt1 39.52(18) 3_666 3_666 ?
C20 Pt1 C40 95.3(3) . . ?
C20 Pt1 C10 89.8(3) . . ?
C40 Pt1 C10 174.3(3) . . ?
C20 Pt1 C30 174.2(4) . . ?
C40 Pt1 C30 83.9(3) . . ?
C10 Pt1 C30 91.3(3) . . ?
C20 Pt1 Ag1 116.7(2) . 3_666 ?
C40 Pt1 Ag1 79.2(2) . 3_666 ?
C10 Pt1 Ag1 100.9(2) . 3_666 ?
C30 Pt1 Ag1 57.5(3) . 3_666 ?
C10 N1 C14 177.2(9) . . ?
C20 N2 C24 169.5(9) . . ?
C36 N3 C32 117.8(7) . . ?
C36 N3 Ag1 125.9(6) . . ?
C32 N3 Ag1 115.7(5) . . ?
C46 N4 C42 117.4(8) . . ?
C46 N4 Ag1 121.5(6) . . ?
C42 N4 Ag1 120.9(6) . . ?
Cl1S C1S Cl2S 110.6(8) . . ?
Cl1S C1S H1SA 109.5 . . ?
Cl2S C1S H1SA 109.5 . . ?
Cl1S C1S H1SB 109.5 . . ?
Cl2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 108.1 . . ?
N1 C10 Pt1 177.3(8) . . ?
C14 C11 H11A 109.5 . . ?
C14 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C14 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 H12A 109.5 . . ?
C14 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C14 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C14 C12 107.5(7) . . ?
N1 C14 C13 107.5(7) . . ?
C12 C14 C13 111.4(8) . . ?
N1 C14 C11 106.1(7) . . ?
C12 C14 C11 112.1(8) . . ?
C13 C14 C11 111.9(7) . . ?
N2 C20 Pt1 174.6(8) . . ?
C24 C21 H21A 109.5 . . ?
C24 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C24 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 H22A 109.5 . . ?
C24 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C24 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 C23 108.2(7) . . ?
N2 C24 C21 106.4(7) . . ?
C23 C24 C21 112.7(8) . . ?
N2 C24 C22 107.3(7) . . ?
C23 C24 C22 111.3(8) . . ?
C21 C24 C22 110.5(8) . . ?
C31 C30 Pt1 176.3(8) . . ?
C31 C30 Ag1 96.7(7) . 3_666 ?
Pt1 C30 Ag1 82.9(3) . 3_666 ?
C30 C31 C32 177.6(10) . . ?
N3 C32 C33 122.2(7) . . ?
N3 C32 C31 115.6(7) . . ?
C33 C32 C31 122.2(8) . . ?
C32 C33 C34 119.0(9) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C35 C34 C33 118.9(9) . . ?
C35 C34 H34A 120.5 . . ?
C33 C34 H34A 120.5 . . ?
C34 C35 C36 118.8(8) . . ?
C34 C35 H35A 120.6 . . ?
C36 C35 H35A 120.6 . . ?
N3 C36 C35 123.3(9) . . ?
N3 C36 H36A 118.4 . . ?
C35 C36 H36A 118.4 . . ?
C41 C40 Pt1 171.5(7) . . ?
C40 C41 C42 174.7(9) . . ?
N4 C42 C43 121.2(8) . . ?
N4 C42 C41 116.8(8) . . ?
C43 C42 C41 122.0(8) . . ?
C44 C43 C42 119.5(8) . . ?
C44 C43 H43A 120.2 . . ?
C42 C43 H43A 120.2 . . ?
C45 C44 C43 118.9(9) . . ?
C45 C44 H44A 120.5 . . ?
C43 C44 H44A 120.5 . . ?
C46 C45 C44 118.7(9) . . ?
C46 C45 H45A 120.6 . . ?
C44 C45 H45A 120.6 . . ?
C45 C46 N4 124.3(8) . . ?
C45 C46 H46A 117.9 . . ?
N4 C46 H46A 117.9 . . ?
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
P1S F2S 1.593(5) . ?
P1S F5S 1.594(6) . ?
P1S F3S 1.595(6) . ?
P1S F1S 1.598(6) . ?
P1S F6S 1.603(6) . ?
P1S F4S 1.604(6) . ?
Ag1 N4 2.195(7) . ?
Ag1 N3 2.201(7) . ?
Ag1 C30 2.642(9) 3_666 ?
Ag1 Pt1 3.1065(14) 3_666 ?
Pt1 C20 1.973(9) . ?
Pt1 C40 1.974(9) . ?
Pt1 C10 1.983(10) . ?
Pt1 C30 1.992(8) . ?
Pt1 Ag1 3.1065(14) 3_666 ?
Cl1S C1S 1.738(13) . ?
Cl2S C1S 1.778(15) . ?
N1 C10 1.138(11) . ?
N1 C14 1.482(11) . ?
N2 C20 1.156(10) . ?
N2 C24 1.468(10) . ?
N3 C36 1.327(10) . ?
N3 C32 1.356(11) . ?
N4 C46 1.351(11) . ?
N4 C42 1.352(10) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C11 C14 1.532(12) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.523(13) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.525(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 C24 1.521(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.524(13) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.515(12) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C30 C31 1.208(11) . ?
C30 Ag1 2.641(9) 3_666 ?
C31 C32 1.437(11) . ?
C32 C33 1.383(12) . ?
C33 C34 1.383(12) . ?
C33 H33A 0.9500 . ?
C34 C35 1.376(13) . ?
C34 H34A 0.9500 . ?
C35 C36 1.384(13) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C40 C41 1.233(12) . ?
C41 C42 1.418(12) . ?
C42 C43 1.393(12) . ?
C43 C44 1.381(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.380(13) . ?
C44 H44A 0.9500 . ?
C45 C46 1.349(14) . ?
C45 H45A 0.9500 . ?
C46 H46A 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
C20 N2 C24 C23 164(4) . . . . ?
C20 N2 C24 C21 42(5) . . . . ?
C20 N2 C24 C22 -76(5) . . . . ?
C36 N3 C32 C33 -1.1(13) . . . . ?
Ag1 N3 C32 C33 170.3(7) . . . . ?
C36 N3 C32 C31 178.4(8) . . . . ?
Ag1 N3 C32 C31 -10.1(10) . . . . ?
N3 C32 C33 C34 0.1(15) . . . . ?
C31 C32 C33 C34 -179.5(9) . . . . ?
C32 C33 C34 C35 1.1(15) . . . . ?
C33 C34 C35 C36 -1.2(15) . . . . ?
C32 N3 C36 C35 1.0(13) . . . . ?
Ag1 N3 C36 C35 -169.5(7) . . . . ?
C34 C35 C36 N3 0.2(15) . . . . ?
C46 N4 C42 C43 -1.7(13) . . . . ?
Ag1 N4 C42 C43 -176.9(7) . . . . ?
C46 N4 C42 C41 179.6(8) . . . . ?
Ag1 N4 C42 C41 4.4(11) . . . . ?
N4 C42 C43 C44 1.9(14) . . . . ?
C41 C42 C43 C44 -179.5(9) . . . . ?
C42 C43 C44 C45 -1.2(16) . . . . ?
C43 C44 C45 C46 0.5(16) . . . . ?
C44 C45 C46 N4 -0.4(17) . . . . ?
C42 N4 C46 C45 1.0(15) . . . . ?
Ag1 N4 C46 C45 176.1(8) . . . . ?
