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#$Date: 2025-01-17 00:50:29 +0200 (Fri, 17 Jan 2025) $
#$Revision: 297359 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/41/7134188.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_7134188
loop_
_publ_author_name
'Francis, Maria'
'Patra, Asutosh'
'Salam, Farsana Abdul'
'Prathapa, Siriyara Jagannatha'
'Roy, Sudipta'
_publ_section_title
;
 Isolation of mixed valence charge-neutral Ag₁₂, and dicationic
 Ag₁₀ nano-clusters stabilized by carbene-phosphaalkenides.
;
_journal_issue                   7
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1379
_journal_page_last               1382
_journal_paper_doi               10.1039/d4cc05628k
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C120 H186 Ag12 Cl3 N6 P6'
_chemical_formula_sum            'C120 H186 Ag12 Cl3 N6 P6'
_chemical_formula_weight         3299.35
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-01-18
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2024-10-19 deposited with the CCDC.	2024-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   32.5258(13)
_cell_length_b                   32.5258(13)
_cell_length_c                   16.6904(10)
_cell_measurement_reflns_used    9736
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.17
_cell_volume                     15291.6(13)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0514
_diffrn_reflns_av_unetI/netI     0.0128
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            211782
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.403
_diffrn_reflns_theta_min         1.892
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.240
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0733 before and 0.0550 after correction.
The Ratio of minimum to maximum transmission is 0.8625.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_description       block
_exptl_crystal_F_000             4959
_exptl_crystal_size_max          0.081
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.067
_refine_diff_density_max         1.671
_refine_diff_density_min         -1.644
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         6982
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1025
_refine_ls_R_factor_gt           0.0832
_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)+(0.1302P)²+84.2387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2523
_refine_ls_wR_factor_ref         0.2759
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4867
_reflns_number_total             6982
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc05628k2.cif
_cod_data_source_block           mo_sr1223_0m_a
_cod_original_cell_volume        15291.6(15)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7134188
_shelx_shelxl_version_number     2019/1
_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   0.922
_shelx_estimated_absorpt_t_min   0.906
_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. Rigid bond restraints
 P2, Cl2, Cl1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C7, C16, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C9, C18, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C4, C15, C16, C17, C18
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 P2, Ag1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
Ag2 \\sim Cl2 \\sim Cl1: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C7 \\sim C16 \\sim C15: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C9 \\sim C17 \\sim C18: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C1 \\sim C16 \\sim C15: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 2A
P2 \\sim Ag1: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(Ag1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 P2, Ag1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5.a Ternary CH refined with riding coordinates:
 C11(H11), C13(H13)
5.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
5.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.4
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.39390(4) 0.73165(4) 0.58555(8) 0.1539(5) Uani 1 1 d . U . . .
Ag2 Ag 0.48134(2) 0.75278(2) 0.66373(4) 0.0868(3) Uani 1 1 d . . . . .
Cl1 Cl 0.333333 0.666667 0.666667 0.0904(13) Uani 1 6 d S T P . .
Cl2 Cl 0.333333 0.666667 0.4921(6) 0.198(4) Uani 1 3 d S T P . .
P2 P 0.46111(8) 0.81038(9) 0.61772(17) 0.1053(7) Uani 1 1 d . U . . .
N1 N 0.4826(2) 0.8753(2) 0.4964(5) 0.0980(19) Uani 1 1 d . . . . .
C1 C 0.4538(3) 0.8939(3) 0.5324(6) 0.098(2) Uani 1 1 d . . . . .
C2 C 0.4740(3) 0.9265(3) 0.5935(7) 0.107(3) Uani 1 1 d . . . . .
C3 C 0.4463(4) 0.9443(3) 0.6271(7) 0.115(3) Uani 1 1 d . . . . .
H3 H 0.458945 0.966624 0.669742 0.138 Uiso 1 1 calc R U . . .
C4 C 0.3992(3) 0.9296(3) 0.5985(7) 0.117(3) Uani 1 1 d . . . . .
H4 H 0.380730 0.941928 0.620736 0.140 Uiso 1 1 calc R U . . .
C5 C 0.3824(3) 0.8973(3) 0.5380(7) 0.109(3) Uani 1 1 d . . . . .
H5 H 0.351454 0.887265 0.518267 0.131 Uiso 1 1 calc R U . . .
C6 C 0.4079(3) 0.8778(3) 0.5032(6) 0.102(3) Uani 1 1 d . . . . .
C7 C 0.5135(4) 0.8984(4) 0.4235(7) 0.121(3) Uani 1 1 d . U . . .
C8 C 0.5292(4) 0.8635(4) 0.4070(7) 0.134(4) Uani 1 1 d . . . . .
H8A H 0.513959 0.846131 0.357087 0.161 Uiso 1 1 calc R U . . .
H8B H 0.563984 0.880737 0.398531 0.161 Uiso 1 1 calc R U . . .
C9 C 0.5175(4) 0.8299(4) 0.4716(7) 0.116(3) Uani 1 1 d . U . . .
C10 C 0.4852(3) 0.8385(3) 0.5263(6) 0.098(2) Uani 1 1 d . . . . .
C11 C 0.5231(3) 0.9435(3) 0.6308(8) 0.119(3) Uani 1 1 d . . . . .
H11 H 0.538680 0.928160 0.601488 0.142 Uiso 1 1 calc R U . . .
C12 C 0.5181(4) 0.9288(3) 0.7203(8) 0.131(4) Uani 1 1 d . . . . .
H12A H 0.549421 0.937513 0.741931 0.197 Uiso 1 1 calc R U . . .
H12B H 0.497034 0.894409 0.724880 0.197 Uiso 1 1 calc R U . . .
H12C H 0.504712 0.945200 0.750451 0.197 Uiso 1 1 calc R U . . .
C13 C 0.3845(3) 0.8403(3) 0.4415(7) 0.114(3) Uani 1 1 d . . . . .
H13 H 0.408301 0.832265 0.419818 0.137 Uiso 1 1 calc R U . . .
C14 C 0.3419(3) 0.7945(3) 0.4763(7) 0.121(3) Uani 1 1 d . . . . .
H14A H 0.324540 0.772552 0.432496 0.181 Uiso 1 1 calc R U . . .
H14B H 0.320706 0.802698 0.504936 0.181 Uiso 1 1 calc R U . . .
H14C H 0.353683 0.779357 0.513400 0.181 Uiso 1 1 calc R U . . .
C15 C 0.4837(5) 0.9010(7) 0.3531(10) 0.214(8) Uani 1 1 d . U . . .
H15A H 0.504827 0.924395 0.313763 0.321 Uiso 1 1 calc R U . . .
H15B H 0.461372 0.910464 0.373632 0.321 Uiso 1 1 calc R U . . .
H15C H 0.465932 0.869786 0.327522 0.321 Uiso 1 1 calc R U . . .
C16 C 0.5548(5) 0.9475(4) 0.4453(10) 0.174(5) Uani 1 1 d . U . . .
H16A H 0.578599 0.958752 0.402537 0.261 Uiso 1 1 calc R U . . .
H16B H 0.569184 0.945473 0.495607 0.261 Uiso 1 1 calc R U . . .
H16C H 0.542961 0.969756 0.451739 0.261 Uiso 1 1 calc R U . . .
C17 C 0.4928(6) 0.7811(5) 0.4386(9) 0.181(5) Uani 1 1 d . U . . .
H17A H 0.477951 0.758210 0.482353 0.271 Uiso 1 1 calc R U . . .
H17B H 0.515762 0.774932 0.410916 0.271 Uiso 1 1 calc R U . . .
H17C H 0.468323 0.777771 0.400663 0.271 Uiso 1 1 calc R U . . .
C18 C 0.5658(6) 0.8480(6) 0.5284(10) 0.186(5) Uani 1 1 d . U . . .
H18A H 0.556959 0.845301 0.585063 0.278 Uiso 1 1 calc R U . . .
H18B H 0.588862 0.881126 0.515820 0.278 Uiso 1 1 calc R U . . .
H18C H 0.579977 0.828096 0.517585 0.278 Uiso 1 1 calc R U . . .
C19 C 0.5544(4) 0.9977(3) 0.6229(9) 0.140(4) Uani 1 1 d . . . . .
H19A H 0.587596 1.006896 0.633451 0.211 Uiso 1 1 calc R U . . .
H19B H 0.544081 1.013284 0.661590 0.211 Uiso 1 1 calc R U . . .
H19C H 0.551659 1.007371 0.568463 0.211 Uiso 1 1 calc R U . . .
C20 C 0.3664(4) 0.8574(5) 0.3736(8) 0.150(5) Uani 1 1 d . . . . .
H20A H 0.360355 0.837058 0.326732 0.226 Uiso 1 1 calc R U . . .
H20B H 0.390154 0.890188 0.360103 0.226 Uiso 1 1 calc R U . . .
H20C H 0.336825 0.856186 0.389916 0.226 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'
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'
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
Ag2 Ag1 Ag2 90.30(3) . 15_556 ?
Cl1 Ag1 Ag2 103.13(4) . . ?
Cl1 Ag1 Ag2 99.21(4) . 15_556 ?
Cl1 Ag1 Cl2 70.8(2) . . ?
Cl1 Ag1 P2 133.69(8) . . ?
Cl2 Ag1 Ag2 136.83(3) . . ?
Cl2 Ag1 Ag2 132.70(3) . 15_556 ?
P2 Ag1 Ag2 50.17(5) . 15_556 ?
P2 Ag1 Ag2 52.73(5) . . ?
P2 Ag1 Cl2 155.0(2) . . ?
Ag1 Ag2 Ag1 70.08(6) . 14_456 ?
P2 Ag2 Ag1 54.45(7) . . ?
P2 Ag2 Ag1 52.40(7) 14_456 14_456 ?
P2 Ag2 Ag1 110.99(6) 14_456 . ?
P2 Ag2 Ag1 111.17(6) . 14_456 ?
P2 Ag2 P2 163.21(11) 14_456 . ?
Ag1 Cl1 Ag1 92.47(3) 13_566 14_456 ?
Ag1 Cl1 Ag1 87.54(3) 13_566 3_565 ?
Ag1 Cl1 Ag1 87.53(3) 2_665 15_556 ?
Ag1 Cl1 Ag1 92.47(3) 2_665 3_565 ?
Ag1 Cl1 Ag1 87.53(4) 2_665 13_566 ?
Ag1 Cl1 Ag1 87.54(3) 14_456 3_565 ?
Ag1 Cl1 Ag1 92.46(3) 15_556 13_566 ?
Ag1 Cl1 Ag1 87.53(4) . 14_456 ?
Ag1 Cl1 Ag1 87.53(4) 15_556 . ?
Ag1 Cl1 Ag1 180.0 15_556 3_565 ?
Ag1 Cl1 Ag1 180.0 13_566 . ?
Ag1 Cl1 Ag1 92.47(3) . 3_565 ?
Ag1 Cl1 Ag1 180.0 2_665 14_456 ?
Ag1 Cl1 Ag1 92.47(3) 15_556 14_456 ?
Ag1 Cl1 Ag1 92.47(3) 2_665 . ?
Ag1 Cl2 Ag1 87.1(3) 2_665 . ?
Ag1 Cl2 Ag1 87.1(3) . 3_565 ?
Ag1 Cl2 Ag1 87.1(3) 2_665 3_565 ?
Ag2 P2 Ag1 77.44(7) 15_556 . ?
Ag2 P2 Ag1 72.82(7) . . ?
Ag2 P2 Ag2 122.39(9) 15_556 . ?
C10 P2 Ag1 106.7(3) . . ?
C10 P2 Ag2 117.9(3) . 15_556 ?
C10 P2 Ag2 117.4(3) . . ?
C1 N1 C7 121.5(7) . . ?
C10 N1 C1 123.6(7) . . ?
C10 N1 C7 114.8(7) . . ?
C2 C1 N1 117.5(8) . . ?
C2 C1 C6 123.6(8) . . ?
C6 C1 N1 118.9(9) . . ?
C1 C2 C3 117.0(9) . . ?
C1 C2 C11 125.9(9) . . ?
C3 C2 C11 117.0(10) . . ?
C2 C3 H3 119.2 . . ?
C2 C3 C4 121.6(10) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 H4 121.5 . . ?
C5 C4 C3 117.0(10) . . ?
C5 C4 H4 121.5 . . ?
C4 C5 H5 118.0 . . ?
C4 C5 C6 124.0(9) . . ?
C6 C5 H5 118.0 . . ?
C1 C6 C13 124.1(9) . . ?
C5 C6 C1 116.7(9) . . ?
C5 C6 C13 119.0(9) . . ?
N1 C7 C15 110.9(8) . . ?
N1 C7 C16 110.1(10) . . ?
C8 C7 N1 99.5(7) . . ?
C8 C7 C15 111.4(13) . . ?
C8 C7 C16 112.6(10) . . ?
C16 C7 C15 111.7(11) . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 C7 112.3(9) . . ?
C9 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C8 C9 C10 104.7(8) . . ?
C8 C9 C17 109.3(11) . . ?
C8 C9 C18 108.2(10) . . ?
C10 C9 C18 102.1(9) . . ?
C17 C9 C10 111.5(9) . . ?
C17 C9 C18 119.9(11) . . ?
N1 C10 P2 125.4(7) . . ?
N1 C10 C9 107.4(7) . . ?
C9 C10 P2 126.8(6) . . ?
C2 C11 H11 108.5 . . ?
C2 C11 C12 110.5(8) . . ?
C2 C11 C19 110.6(8) . . ?
C12 C11 H11 108.5 . . ?
C19 C11 H11 108.5 . . ?
C19 C11 C12 110.1(10) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C6 C13 H13 108.7 . . ?
C6 C13 C14 112.0(9) . . ?
C6 C13 C20 110.6(9) . . ?
C14 C13 H13 108.7 . . ?
C20 C13 H13 108.7 . . ?
C20 C13 C14 108.0(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C16 H16A 109.5 . . ?
C7 C16 H16B 109.5 . . ?
C7 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C18 H18A 109.5 . . ?
C9 C18 H18B 109.5 . . ?
C9 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C11 C19 H19A 109.5 . . ?
C11 C19 H19B 109.5 . . ?
C11 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C13 C20 H20A 109.5 . . ?
C13 C20 H20B 109.5 . . ?
C13 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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 Ag2 3.0244(10) 15_556 ?
Ag1 Ag2 2.8826(10) . ?
Ag1 Cl1 2.4530(14) . ?
Ag1 Cl2 2.572(7) . ?
Ag1 P2 2.455(3) . ?
Ag2 P2 2.379(2) 14_456 ?
Ag2 P2 2.401(2) . ?
P2 C10 1.750(9) . ?
N1 C1 1.471(10) . ?
N1 C7 1.518(12) . ?
N1 C10 1.339(10) . ?
C1 C2 1.379(13) . ?
C1 C6 1.401(12) . ?
C2 C3 1.411(13) . ?
C2 C11 1.535(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.436(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.360(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(13) . ?
C6 C13 1.483(14) . ?
C7 C8 1.484(14) . ?
C7 C15 1.552(18) . ?
C7 C16 1.530(16) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.445(13) . ?
C9 C10 1.519(12) . ?
C9 C17 1.482(17) . ?
C9 C18 1.670(19) . ?
C11 H11 1.0000 . ?
C11 C12 1.551(16) . ?
C11 C19 1.538(12) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.552(13) . ?
C13 C20 1.508(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
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 P2 C10 N1 109.7(7) . . . . ?
Ag1 P2 C10 C9 -78.1(9) . . . . ?
Ag2 P2 C10 N1 -171.3(6) . . . . ?
Ag2 P2 C10 N1 25.4(9) 15_556 . . . ?
Ag2 P2 C10 C9 0.8(10) . . . . ?
Ag2 P2 C10 C9 -162.5(8) 15_556 . . . ?
N1 C1 C2 C3 179.6(7) . . . . ?
N1 C1 C2 C11 -3.4(12) . . . . ?
N1 C1 C6 C5 -178.7(7) . . . . ?
N1 C1 C6 C13 4.6(12) . . . . ?
N1 C7 C8 C9 -11.1(14) . . . . ?
C1 N1 C7 C8 -173.6(9) . . . . ?
C1 N1 C7 C15 -56.2(14) . . . . ?
C1 N1 C7 C16 68.0(12) . . . . ?
C1 N1 C10 P2 -7.6(13) . . . . ?
C1 N1 C10 C9 179.0(9) . . . . ?
C1 C2 C3 C4 -0.7(12) . . . . ?
C1 C2 C11 C12 -116.1(10) . . . . ?
C1 C2 C11 C19 121.8(10) . . . . ?
C1 C6 C13 C14 112.3(10) . . . . ?
C1 C6 C13 C20 -127.2(10) . . . . ?
C2 C1 C6 C5 1.3(12) . . . . ?
C2 C1 C6 C13 -175.5(8) . . . . ?
C2 C3 C4 C5 0.7(13) . . . . ?
C3 C2 C11 C12 61.0(10) . . . . ?
C3 C2 C11 C19 -61.2(13) . . . . ?
C3 C4 C5 C6 0.2(13) . . . . ?
C4 C5 C6 C1 -1.2(13) . . . . ?
C4 C5 C6 C13 175.7(8) . . . . ?
C5 C6 C13 C14 -64.4(11) . . . . ?
C5 C6 C13 C20 56.2(12) . . . . ?
C6 C1 C2 C3 -0.4(12) . . . . ?
C6 C1 C2 C11 176.7(8) . . . . ?
C7 N1 C1 C2 -92.1(10) . . . . ?
C7 N1 C1 C6 87.8(10) . . . . ?
C7 N1 C10 P2 169.9(7) . . . . ?
C7 N1 C10 C9 -3.5(11) . . . . ?
C7 C8 C9 C10 9.8(14) . . . . ?
C7 C8 C9 C17 129.3(12) . . . . ?
C7 C8 C9 C18 -98.5(12) . . . . ?
C8 C9 C10 P2 -177.0(8) . . . . ?
C8 C9 C10 N1 -3.7(12) . . . . ?
C10 N1 C1 C2 85.2(10) . . . . ?
C10 N1 C1 C6 -94.9(11) . . . . ?
C10 N1 C7 C8 8.9(12) . . . . ?
C10 N1 C7 C15 126.3(12) . . . . ?
C10 N1 C7 C16 -109.6(11) . . . . ?
C11 C2 C3 C4 -178.0(8) . . . . ?
C15 C7 C8 C9 -128.1(12) . . . . ?
C16 C7 C8 C9 105.5(12) . . . . ?
C17 C9 C10 P2 65.0(14) . . . . ?
C17 C9 C10 N1 -121.8(11) . . . . ?
C18 C9 C10 P2 -64.3(11) . . . . ?
C18 C9 C10 N1 109.0(9) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.659 -0.273 -0.204 7858.1 575.7 ?
