# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20230422_2_1_new_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2321717'
loop_
_audit_author_name
_audit_author_address
'yongqiang zhou'
;Chongqing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-07-09 downloaded from the CCDC.
;
_audit_creation_date             2023-04-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag2 I4, 2(C24 H20 P)'
_chemical_formula_sum            'C48 H40 Ag2 I4 P2'
_chemical_formula_weight         1402.08
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I 0.0030 5.4350 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0509(5)
_cell_length_b                   13.3965(6)
_cell_length_c                   16.5842(8)
_cell_angle_alpha                83.100(2)
_cell_angle_beta                 76.995(2)
_cell_angle_gamma                76.019(2)
_cell_volume                     2315.72(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9955
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      57.160
_cell_measurement_theta_min      4.763
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    19.613
_exptl_absorpt_correction_T_max  0.0448
_exptl_absorpt_correction_T_min  0.0016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1833 before and 0.1020 after correction.
The Ratio of minimum to maximum transmission is 0.0357.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34195
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.370
_diffrn_reflns_theta_min         3.663
_diffrn_ambient_temperature      200.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1997996
_diffrn_source_voltage           69.86
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7612
_reflns_number_total             9358
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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  'SHELXL n/a (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         5.279
_refine_diff_density_min         -2.508
_refine_diff_density_rms         0.485
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9358
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.1438
_refine_ls_restrained_S_all      1.113
_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)+(0.1000P)²+110.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3358
_refine_ls_wR_factor_ref         0.3413
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00B(H00B), C00C(H00C), C00E(H00E), C00F(H00F), C00G(H00G),
 C00H(H00H), C00I(H00I), C00J(H00J), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00X(H00X),
 C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C017(H017), C018(H018), C019(H019),
 C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D), C01F(H01F), C01G(H01G),
 C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
I001 I 0.44084(14) -0.04000(10) 0.88252(9) 0.0617(4) Uani 1 1 d . . . . .
I002 I 0.57209(16) 0.28054(11) 0.88528(10) 0.0672(4) Uani 1 1 d . . . . .
I003 I 0.86804(15) -0.03293(11) 0.87327(10) 0.0674(4) Uani 1 1 d . . . . .
I004 I 0.90807(16) 0.22060(11) 0.64200(10) 0.0698(4) Uani 1 1 d . . . . .
Ag05 Ag 0.78325(17) 0.15693(13) 0.79421(11) 0.0663(5) Uani 1 1 d . . . . .
Ag00 Ag 0.60330(19) 0.05788(14) 0.94047(12) 0.0722(5) Uani 1 1 d . . . . .
P007 P 0.0689(5) 0.5130(4) 0.8149(4) 0.0538(12) Uani 1 1 d . . . . .
P008 P 0.4437(5) 0.2125(4) 0.4371(3) 0.0518(11) Uani 1 1 d . . . . .
C009 C 0.337(2) 0.1509(14) 0.4094(15) 0.058(5) Uani 1 1 d . . . . .
C00A C 0.485(2) 0.4092(15) 0.4075(14) 0.056(5) Uani 1 1 d . . . . .
H00A H 0.539346 0.386057 0.446392 0.067 Uiso 1 1 calc R U . . .
C00B C 0.399(3) 0.1957(16) 0.7202(15) 0.068(6) Uani 1 1 d . . . . .
H00B H 0.388086 0.194762 0.778777 0.082 Uiso 1 1 calc R U . . .
C00C C 0.202(2) 0.1861(17) 0.4340(15) 0.062(5) Uani 1 1 d . . . . .
H00C H 0.170452 0.245152 0.465286 0.074 Uiso 1 1 calc R U . . .
C00D C 0.417(2) 0.3436(15) 0.3928(13) 0.055(5) Uani 1 1 d . . . . .
C00E C 0.768(2) 0.122(2) 0.2664(15) 0.070(6) Uani 1 1 d . . . . .
H00E H 0.795249 0.132741 0.208139 0.084 Uiso 1 1 calc R U . . .
C00F C 0.162(3) 0.0594(19) 0.3585(17) 0.073(6) Uani 1 1 d . . . . .
H00F H 0.104396 0.029894 0.339541 0.088 Uiso 1 1 calc R U . . .
C00G C 0.379(2) 0.0687(14) 0.3567(13) 0.052(4) Uani 1 1 d . . . . .
H00G H 0.468053 0.042765 0.337975 0.062 Uiso 1 1 calc R U . . .
C00H C 0.042(2) 0.2142(17) 0.8659(14) 0.061(5) Uani 1 1 d . . . . .
H00H H -0.008512 0.170727 0.855436 0.074 Uiso 1 1 calc R U . . .
C00I C 0.019(2) 0.3178(16) 0.8325(15) 0.064(6) Uani 1 1 d . . . . .
H00I H -0.039928 0.342820 0.797178 0.076 Uiso 1 1 calc R U . . .
C00J C 0.294(2) 0.5546(16) 0.8347(14) 0.057(5) Uani 1 1 d . . . . .
H00J H 0.334641 0.501541 0.798134 0.069 Uiso 1 1 calc R U . . .
C00K C -0.0958(19) 0.5743(15) 0.8432(15) 0.057(5) Uani 1 1 d . . . . .
C00L C 0.115(2) 0.5257(16) 0.7038(14) 0.059(5) Uani 1 1 d . . . . .
C00M C 0.295(2) 0.0264(17) 0.3325(16) 0.065(6) Uani 1 1 d . . . . .
H00M H 0.326401 -0.028093 0.296360 0.078 Uiso 1 1 calc R U . . .
C00N C 0.118(2) 0.1391(19) 0.4147(17) 0.069(6) Uani 1 1 d . . . . .
H00N H 0.029994 0.159261 0.438484 0.083 Uiso 1 1 calc R U . . .
C00O C 0.160(3) 0.555(2) 0.5323(16) 0.080(7) Uani 1 1 d . . . . .
H00O H 0.173895 0.564010 0.473513 0.096 Uiso 1 1 calc R U . . .
C00P C 0.849(2) 0.0571(18) 0.3116(16) 0.066(6) Uani 1 1 d . . . . .
H00P H 0.931242 0.023599 0.284780 0.080 Uiso 1 1 calc R U . . .
C00Q C 0.161(2) 0.5796(15) 0.8549(16) 0.062(6) Uani 1 1 d . . . . .
C00R C 0.090(2) 0.3828(16) 0.8547(12) 0.055(5) Uani 1 1 d . . . . .
C00S C 0.482(3) 0.500(2) 0.3719(17) 0.073(6) Uani 1 1 d . . . . .
H00S H 0.536439 0.540780 0.381484 0.088 Uiso 1 1 calc R U . . .
C00T C 0.308(3) 0.1695(19) 0.6882(16) 0.073(6) Uani 1 1 d . . . . .
H00T H 0.235863 0.150120 0.723795 0.087 Uiso 1 1 calc R U . . .
C00U C -0.137(2) 0.6736(15) 0.8064(15) 0.062(5) Uani 1 1 d . . . . .
H00U H -0.078856 0.702784 0.764450 0.074 Uiso 1 1 calc R U . . .
C00V C 0.321(3) 0.4786(19) 0.3002(17) 0.081(8) Uani 1 1 d . . . . .
H00V H 0.263971 0.502447 0.263323 0.097 Uiso 1 1 calc R U . . .
C00W C 0.426(2) 0.2057(15) 0.5470(14) 0.059(5) Uani 1 1 d . . . . .
C00X C 0.176(3) 0.7122(19) 0.9357(16) 0.069(6) Uani 1 1 d . . . . .
H00X H 0.136316 0.767699 0.970153 0.082 Uiso 1 1 calc R U . . .
C00Y C 0.099(2) 0.6623(15) 0.9071(14) 0.058(5) Uani 1 1 d . . . . .
H00Y H 0.008704 0.682262 0.921703 0.070 Uiso 1 1 calc R U . . .
C00Z C 0.519(2) 0.2295(16) 0.5813(15) 0.063(5) Uani 1 1 d . . . . .
H00Z H 0.591584 0.249552 0.546438 0.076 Uiso 1 1 calc R U . . .
C010 C -0.178(2) 0.5303(17) 0.9060(14) 0.060(5) Uani 1 1 d . . . . .
H010 H -0.150016 0.464214 0.932031 0.071 Uiso 1 1 calc R U . . .
C011 C 0.302(3) 0.6854(19) 0.9168(16) 0.071(6) Uani 1 1 d . . . . .
H011 H 0.350544 0.722139 0.938070 0.085 Uiso 1 1 calc R U . . .
C012 C 0.647(2) 0.1733(18) 0.3039(15) 0.065(5) Uani 1 1 d . . . . .
H012 H 0.593431 0.220820 0.272508 0.078 Uiso 1 1 calc R U . . .
C013 C -0.343(2) 0.6808(18) 0.8986(18) 0.071(6) Uani 1 1 d . . . . .
H013 H -0.425788 0.717706 0.921402 0.085 Uiso 1 1 calc R U . . .
C014 C 0.333(3) 0.3780(18) 0.3391(17) 0.077(7) Uani 1 1 d . . . . .
H014 H 0.283714 0.333790 0.328457 0.092 Uiso 1 1 calc R U . . .
C015 C 0.131(2) 0.1737(17) 0.9120(16) 0.068(6) Uani 1 1 d . . . . .
H015 H 0.144443 0.103033 0.931377 0.082 Uiso 1 1 calc R U . . .
C016 C 0.686(2) 0.0863(19) 0.4360(15) 0.067(6) Uani 1 1 d . . . . .
H016 H 0.657507 0.072377 0.493731 0.080 Uiso 1 1 calc R U . . .
C017 C 0.204(3) 0.2361(17) 0.9308(17) 0.073(7) Uani 1 1 d . . . . .
H017 H 0.268723 0.206471 0.961120 0.087 Uiso 1 1 calc R U . . .
C018 C 0.504(3) 0.2230(17) 0.6723(18) 0.077(7) Uani 1 1 d . . . . .
H018 H 0.567167 0.237635 0.696872 0.093 Uiso 1 1 calc R U . . .
C019 C 0.368(3) 0.603(2) 0.8653(18) 0.077(7) Uani 1 1 d . . . . .
H019 H 0.458158 0.582521 0.852932 0.092 Uiso 1 1 calc R U . . .
C01A C 0.807(2) 0.0400(19) 0.3996(17) 0.069(6) Uani 1 1 d . . . . .
H01A H 0.863249 -0.002841 0.431982 0.083 Uiso 1 1 calc R U . . .
C01B C -0.265(2) 0.7309(18) 0.8316(17) 0.068(6) Uani 1 1 d . . . . .
H01B H -0.295784 0.796778 0.806370 0.082 Uiso 1 1 calc R U . . .
C01C C 0.324(2) 0.1719(17) 0.5993(15) 0.065(6) Uani 1 1 d . . . . .
H01C H 0.263721 0.150179 0.576163 0.078 Uiso 1 1 calc R U . . .
C01D C 0.173(3) 0.627(2) 0.575(2) 0.080(8) Uani 1 1 d . . . . .
H01D H 0.198408 0.686682 0.546447 0.096 Uiso 1 1 calc R U . . .
C01E C 0.604(2) 0.1524(15) 0.3918(14) 0.057(5) Uani 1 1 d . . . . .
C01F C 0.183(2) 0.3411(18) 0.9061(17) 0.070(6) Uani 1 1 d . . . . .
H01F H 0.229459 0.383987 0.922377 0.084 Uiso 1 1 calc R U . . .
C01G C 0.104(3) 0.4498(19) 0.6562(17) 0.078(7) Uani 1 1 d . . . . .
H01G H 0.082518 0.387402 0.681682 0.094 Uiso 1 1 calc R U . . .
C01H C 0.127(3) 0.469(2) 0.5705(19) 0.093(9) Uani 1 1 d . . . . .
H01H H 0.118029 0.418806 0.537603 0.111 Uiso 1 1 calc R U . . .
C01I C 0.392(3) 0.541(2) 0.316(2) 0.093(9) Uani 1 1 d . . . . .
H01I H 0.384136 0.610001 0.292249 0.111 Uiso 1 1 calc R U . . .
C01J C 0.149(2) 0.6178(18) 0.6643(17) 0.069(6) Uani 1 1 d . . . . .
H01J H 0.155612 0.670797 0.695266 0.083 Uiso 1 1 calc R U . . .
C01K C -0.303(3) 0.5857(18) 0.9293(16) 0.071(6) Uani 1 1 d . . . . .
H01K H -0.361287 0.554176 0.968782 0.085 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
I001 Ag00 2.843(2) . ?
I001 Ag00 2.856(2) 2_657 ?
I002 Ag05 2.760(2) . ?
I002 Ag00 2.974(2) . ?
I003 Ag05 2.769(2) . ?
I003 Ag00 2.902(3) . ?
I004 Ag05 2.736(2) . ?
Ag05 Ag00 3.151(3) . ?
Ag00 Ag00 3.235(4) 2_657 ?
P007 C00K 1.79(2) . ?
P007 C00L 1.80(2) . ?
P007 C00Q 1.78(2) . ?
P007 C00R 1.77(2) . ?
P008 C009 1.76(2) . ?
P008 C00D 1.80(2) . ?
P008 C00W 1.78(2) . ?
P008 C01E 1.79(2) . ?
C009 C00C 1.43(3) . ?
C009 C00G 1.41(3) . ?
C00A H00A 0.9500 . ?
C00A C00D 1.37(3) . ?
C00A C00S 1.29(3) . ?
C00B H00B 0.9500 . ?
C00B C00T 1.37(4) . ?
C00B C018 1.35(4) . ?
C00C H00C 0.9500 . ?
C00C C00N 1.35(3) . ?
C00D C014 1.39(3) . ?
C00E H00E 0.9500 . ?
C00E C00P 1.37(4) . ?
C00E C012 1.39(3) . ?
C00F H00F 0.9500 . ?
C00F C00M 1.41(3) . ?
C00F C00N 1.42(3) . ?
C00G H00G 0.9500 . ?
C00G C00M 1.36(3) . ?
C00H H00H 0.9500 . ?
C00H C00I 1.42(3) . ?
C00H C015 1.36(4) . ?
C00I H00I 0.9500 . ?
C00I C00R 1.43(3) . ?
C00J H00J 0.9500 . ?
C00J C00Q 1.40(3) . ?
C00J C019 1.37(3) . ?
C00K C00U 1.41(3) . ?
C00K C010 1.40(3) . ?
C00L C01G 1.40(3) . ?
C00L C01J 1.42(3) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00O H00O 0.9500 . ?
C00O C01D 1.32(4) . ?
C00O C01H 1.33(4) . ?
C00P H00P 0.9500 . ?
C00P C01A 1.44(4) . ?
C00Q C00Y 1.43(3) . ?
C00R C01F 1.45(3) . ?
C00S H00S 0.9500 . ?
C00S C01I 1.47(4) . ?
C00T H00T 0.9500 . ?
C00T C01C 1.44(3) . ?
C00U H00U 0.9500 . ?
C00U C01B 1.43(3) . ?
C00V H00V 0.9500 . ?
C00V C014 1.41(3) . ?
C00V C01I 1.37(4) . ?
C00W C00Z 1.40(3) . ?
C00W C01C 1.39(3) . ?
C00X H00X 0.9500 . ?
C00X C00Y 1.39(3) . ?
C00X C011 1.33(4) . ?
C00Y H00Y 0.9500 . ?
C00Z H00Z 0.9500 . ?
C00Z C018 1.47(4) . ?
C010 H010 0.9500 . ?
C010 C01K 1.39(3) . ?
C011 H011 0.9500 . ?
C011 C019 1.43(4) . ?
C012 H012 0.9500 . ?
C012 C01E 1.44(3) . ?
C013 H013 0.9500 . ?
C013 C01B 1.45(4) . ?
C013 C01K 1.32(3) . ?
C014 H014 0.9500 . ?
C015 H015 0.9500 . ?
C015 C017 1.39(3) . ?
C016 H016 0.9500 . ?
C016 C01A 1.37(3) . ?
C016 C01E 1.38(3) . ?
C017 H017 0.9500 . ?
C017 C01F 1.40(3) . ?
C018 H018 0.9500 . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9500 . ?
C01C H01C 0.9500 . ?
C01D H01D 0.9500 . ?
C01D C01J 1.44(4) . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01G C01H 1.39(4) . ?
C01H H01H 0.9500 . ?
C01I H01I 0.9500 . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?

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
Ag00 I001 Ag00 69.16(7) . 2_657 ?
Ag05 I002 Ag00 66.56(6) . . ?
Ag05 I003 Ag00 67.47(6) . . ?
I002 Ag05 I003 114.60(8) . . ?
I002 Ag05 Ag00 59.98(6) . . ?
I003 Ag05 Ag00 58.27(6) . . ?
I004 Ag05 I002 122.89(8) . . ?
I004 Ag05 I003 122.41(8) . . ?
I004 Ag05 Ag00 164.70(8) . . ?
I001 Ag00 I001 110.84(7) . 2_657 ?
I001 Ag00 I002 107.93(7) 2_657 . ?
I001 Ag00 I002 113.36(8) . . ?
I001 Ag00 I003 110.22(7) . . ?
I001 Ag00 I003 109.57(8) 2_657 . ?
I001 Ag00 Ag05 136.82(8) 2_657 . ?
I001 Ag00 Ag05 112.34(8) . . ?
I001 Ag00 Ag00 55.23(6) 2_657 2_657 ?
I001 Ag00 Ag00 55.61(6) . 2_657 ?
I002 Ag00 Ag05 53.47(5) . . ?
I002 Ag00 Ag00 128.34(10) . 2_657 ?
I003 Ag00 I002 104.70(7) . . ?
I003 Ag00 Ag05 54.25(6) . . ?
I003 Ag00 Ag00 126.83(10) . 2_657 ?
Ag05 Ag00 Ag00 167.95(10) . 2_657 ?
C00K P007 C00L 108.1(11) . . ?
C00Q P007 C00K 109.2(11) . . ?
C00Q P007 C00L 106.8(11) . . ?
C00R P007 C00K 108.7(10) . . ?
C00R P007 C00L 112.6(10) . . ?
C00R P007 C00Q 111.3(11) . . ?
C009 P008 C00D 108.4(10) . . ?
C009 P008 C00W 110.6(10) . . ?
C009 P008 C01E 109.9(10) . . ?
C00W P008 C00D 112.2(9) . . ?
C00W P008 C01E 109.3(11) . . ?
C01E P008 C00D 106.4(10) . . ?
C00C C009 P008 121.8(15) . . ?
C00G C009 P008 121.9(17) . . ?
C00G C009 C00C 116.2(19) . . ?
C00D C00A H00A 117.9 . . ?
C00S C00A H00A 117.9 . . ?
C00S C00A C00D 124(2) . . ?
C00T C00B H00B 118.5 . . ?
C018 C00B H00B 118.5 . . ?
C018 C00B C00T 123(2) . . ?
C009 C00C H00C 118.5 . . ?
C00N C00C C009 123(2) . . ?
C00N C00C H00C 118.5 . . ?
C00A C00D P008 120.0(18) . . ?
C00A C00D C014 119(2) . . ?
C014 C00D P008 121.2(15) . . ?
C00P C00E H00E 119.2 . . ?
C00P C00E C012 122(2) . . ?
C012 C00E H00E 119.2 . . ?
C00M C00F H00F 121.6 . . ?
C00M C00F C00N 117(2) . . ?
C00N C00F H00F 121.6 . . ?
C009 C00G H00G 119.7 . . ?
C00M C00G C009 121(2) . . ?
C00M C00G H00G 119.7 . . ?
C00I C00H H00H 118.2 . . ?
C015 C00H H00H 118.2 . . ?
C015 C00H C00I 124(2) . . ?
C00H C00I H00I 121.7 . . ?
C00H C00I C00R 117(2) . . ?
C00R C00I H00I 121.7 . . ?
C00Q C00J H00J 118.5 . . ?
C019 C00J H00J 118.5 . . ?
C019 C00J C00Q 123(2) . . ?
C00U C00K P007 117.7(16) . . ?
C010 C00K P007 121.1(17) . . ?
C010 C00K C00U 121(2) . . ?
C01G C00L P007 119.9(18) . . ?
C01G C00L C01J 120(2) . . ?
C01J C00L P007 119.6(18) . . ?
C00F C00M H00M 118.5 . . ?
C00G C00M C00F 123(2) . . ?
C00G C00M H00M 118.5 . . ?
C00C C00N C00F 120(2) . . ?
C00C C00N H00N 120.1 . . ?
C00F C00N H00N 120.1 . . ?
C01D C00O H00O 119.6 . . ?
C01D C00O C01H 121(3) . . ?
C01H C00O H00O 119.6 . . ?
C00E C00P H00P 120.2 . . ?
C00E C00P C01A 120(2) . . ?
C01A C00P H00P 120.2 . . ?
C00J C00Q P007 121.3(17) . . ?
C00J C00Q C00Y 118.7(19) . . ?
C00Y C00Q P007 120.0(18) . . ?
C00I C00R P007 119.5(17) . . ?
C00I C00R C01F 120.3(19) . . ?
C01F C00R P007 120.1(16) . . ?
C00A C00S H00S 120.4 . . ?
C00A C00S C01I 119(2) . . ?
C01I C00S H00S 120.4 . . ?
C00B C00T H00T 120.6 . . ?
C00B C00T C01C 119(2) . . ?
C01C C00T H00T 120.6 . . ?
C00K C00U H00U 119.6 . . ?
C00K C00U C01B 121(2) . . ?
C01B C00U H00U 119.6 . . ?
C014 C00V H00V 120.4 . . ?
C01I C00V H00V 120.4 . . ?
C01I C00V C014 119(3) . . ?
C00Z C00W P008 119.4(16) . . ?
C01C C00W P008 121.1(18) . . ?
C01C C00W C00Z 119(2) . . ?
C00Y C00X H00X 118.7 . . ?
C011 C00X H00X 118.7 . . ?
C011 C00X C00Y 123(2) . . ?
C00Q C00Y H00Y 121.3 . . ?
C00X C00Y C00Q 117(2) . . ?
C00X C00Y H00Y 121.3 . . ?
C00W C00Z H00Z 120.5 . . ?
C00W C00Z C018 119(2) . . ?
C018 C00Z H00Z 120.5 . . ?
C00K C010 H010 120.9 . . ?
C01K C010 C00K 118(2) . . ?
C01K C010 H010 120.9 . . ?
C00X C011 H011 119.2 . . ?
C00X C011 C019 122(2) . . ?
C019 C011 H011 119.2 . . ?
C00E C012 H012 120.8 . . ?
C00E C012 C01E 118(2) . . ?
C01E C012 H012 120.8 . . ?
C01B C013 H013 118.7 . . ?
C01K C013 H013 118.7 . . ?
C01K C013 C01B 123(2) . . ?
C00D C014 C00V 120(2) . . ?
C00D C014 H014 120.0 . . ?
C00V C014 H014 120.0 . . ?
C00H C015 H015 120.1 . . ?
C00H C015 C017 120(2) . . ?
C017 C015 H015 120.1 . . ?
C01A C016 H016 118.8 . . ?
C01A C016 C01E 122(2) . . ?
C01E C016 H016 118.8 . . ?
C015 C017 H017 119.2 . . ?
C015 C017 C01F 122(2) . . ?
C01F C017 H017 119.2 . . ?
C00B C018 C00Z 119(2) . . ?
C00B C018 H018 120.5 . . ?
C00Z C018 H018 120.5 . . ?
C00J C019 C011 117(2) . . ?
C00J C019 H019 121.7 . . ?
C011 C019 H019 121.7 . . ?
C00P C01A H01A 120.6 . . ?
C016 C01A C00P 119(2) . . ?
C016 C01A H01A 120.6 . . ?
C00U C01B C013 115(2) . . ?
C00U C01B H01B 122.6 . . ?
C013 C01B H01B 122.6 . . ?
C00T C01C H01C 119.7 . . ?
C00W C01C C00T 121(2) . . ?
C00W C01C H01C 119.7 . . ?
C00O C01D H01D 119.2 . . ?
C00O C01D C01J 122(2) . . ?
C01J C01D H01D 119.2 . . ?
C012 C01E P008 117.3(17) . . ?
C016 C01E P008 123.5(18) . . ?
C016 C01E C012 119(2) . . ?
C00R C01F H01F 121.0 . . ?
C017 C01F C00R 118(2) . . ?
C017 C01F H01F 121.0 . . ?
C00L C01G H01G 121.2 . . ?
C01H C01G C00L 118(2) . . ?
C01H C01G H01G 121.2 . . ?
C00O C01H C01G 123(2) . . ?
C00O C01H H01H 118.5 . . ?
C01G C01H H01H 118.5 . . ?
C00S C01I H01I 120.7 . . ?
C00V C01I C00S 119(2) . . ?
C00V C01I H01I 120.7 . . ?
C00L C01J C01D 117(2) . . ?
C00L C01J H01J 121.6 . . ?
C01D C01J H01J 121.6 . . ?
C010 C01K H01K 118.8 . . ?
C013 C01K C010 122(2) . . ?
C013 C01K H01K 118.8 . . ?

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
P007 C00K C00U C01B -174.4(18) . . . . ?
P007 C00K C010 C01K 175.1(18) . . . . ?
P007 C00L C01G C01H 172(2) . . . . ?
P007 C00L C01J C01D -173.9(18) . . . . ?
P007 C00Q C00Y C00X -179.3(17) . . . . ?
P007 C00R C01F C017 -175(2) . . . . ?
P008 C009 C00C C00N -179(2) . . . . ?
P008 C009 C00G C00M -176.2(18) . . . . ?
P008 C00D C014 C00V -175(2) . . . . ?
P008 C00W C00Z C018 -179.6(17) . . . . ?
P008 C00W C01C C00T -178.2(18) . . . . ?
C009 P008 C00D C00A 178.0(17) . . . . ?
C009 P008 C00D C014 -6(2) . . . . ?
C009 P008 C00W C00Z 166.0(17) . . . . ?
C009 P008 C00W C01C -11(2) . . . . ?
C009 P008 C01E C012 74.3(18) . . . . ?
C009 P008 C01E C016 -103.9(19) . . . . ?
C009 C00C C00N C00F -9(4) . . . . ?
C009 C00G C00M C00F -1(4) . . . . ?
C00A C00D C014 C00V 1(4) . . . . ?
C00A C00S C01I C00V -4(4) . . . . ?
C00B C00T C01C C00W -4(4) . . . . ?
C00C C009 C00G C00M -1(3) . . . . ?
C00D P008 C009 C00C -61(2) . . . . ?
C00D P008 C009 C00G 114.1(18) . . . . ?
C00D P008 C00W C00Z -73(2) . . . . ?
C00D P008 C00W C01C 110.6(19) . . . . ?
C00D P008 C01E C012 -42.9(18) . . . . ?
C00D P008 C01E C016 138.9(18) . . . . ?
C00D C00A C00S C01I 5(4) . . . . ?
C00E C00P C01A C016 2(3) . . . . ?
C00E C012 C01E P008 -175.7(17) . . . . ?
C00E C012 C01E C016 3(3) . . . . ?
C00G C009 C00C C00N 6(4) . . . . ?
C00H C00I C00R P007 179.3(17) . . . . ?
C00H C00I C00R C01F 3(3) . . . . ?
C00H C015 C017 C01F 3(4) . . . . ?
C00I C00H C015 C017 2(4) . . . . ?
C00I C00R C01F C017 2(4) . . . . ?
C00J C00Q C00Y C00X -1(3) . . . . ?
C00K P007 C00L C01G -90(2) . . . . ?
C00K P007 C00L C01J 83(2) . . . . ?
C00K P007 C00Q C00J -173.4(18) . . . . ?
C00K P007 C00Q C00Y 5(2) . . . . ?
C00K P007 C00R C00I 57(2) . . . . ?
C00K P007 C00R C01F -126.3(19) . . . . ?
C00K C00U C01B C013 3(3) . . . . ?
C00K C010 C01K C013 -5(4) . . . . ?
C00L P007 C00K C00U -47(2) . . . . ?
C00L P007 C00K C010 139.2(18) . . . . ?
C00L P007 C00Q C00J -57(2) . . . . ?
C00L P007 C00Q C00Y 121.8(19) . . . . ?
C00L P007 C00R C00I -63(2) . . . . ?
C00L P007 C00R C01F 114.0(19) . . . . ?
C00L C01G C01H C00O 1(5) . . . . ?
C00M C00F C00N C00C 6(4) . . . . ?
C00N C00F C00M C00G -2(4) . . . . ?
C00O C01D C01J C00L 2(4) . . . . ?
C00P C00E C012 C01E -3(3) . . . . ?
C00Q P007 C00K C00U 68(2) . . . . ?
C00Q P007 C00K C010 -104.9(19) . . . . ?
C00Q P007 C00L C01G 153(2) . . . . ?
C00Q P007 C00L C01J -35(2) . . . . ?
C00Q P007 C00R C00I 177.2(18) . . . . ?
C00Q P007 C00R C01F -6(2) . . . . ?
C00Q C00J C019 C011 -3(4) . . . . ?
C00R P007 C00K C00U -170.0(17) . . . . ?
C00R P007 C00K C010 17(2) . . . . ?
C00R P007 C00L C01G 30(2) . . . . ?
C00R P007 C00L C01J -157.1(18) . . . . ?
C00R P007 C00Q C00J 67(2) . . . . ?
C00R P007 C00Q C00Y -114.9(18) . . . . ?
C00S C00A C00D P008 173(2) . . . . ?
C00S C00A C00D C014 -3(4) . . . . ?
C00T C00B C018 C00Z 3(4) . . . . ?
C00U C00K C010 C01K 2(3) . . . . ?
C00W P008 C009 C00C 62(2) . . . . ?
C00W P008 C009 C00G -122.6(19) . . . . ?
C00W P008 C00D C00A 56(2) . . . . ?
C00W P008 C00D C014 -129(2) . . . . ?
C00W P008 C01E C012 -164.2(15) . . . . ?
C00W P008 C01E C016 18(2) . . . . ?
C00W C00Z C018 C00B -1(3) . . . . ?
C00X C011 C019 C00J 2(4) . . . . ?
C00Y C00X C011 C019 0(4) . . . . ?
C00Z C00W C01C C00T 5(3) . . . . ?
C010 C00K C00U C01B -1(3) . . . . ?
C011 C00X C00Y C00Q 0(4) . . . . ?
C012 C00E C00P C01A 1(4) . . . . ?
C014 C00V C01I C00S 2(5) . . . . ?
C015 C00H C00I C00R -5(3) . . . . ?
C015 C017 C01F C00R -4(4) . . . . ?
C018 C00B C00T C01C -1(4) . . . . ?
C019 C00J C00Q P007 -179(2) . . . . ?
C019 C00J C00Q C00Y 3(3) . . . . ?
C01A C016 C01E P008 178.7(17) . . . . ?
C01A C016 C01E C012 0(3) . . . . ?
C01B C013 C01K C010 7(4) . . . . ?
C01C C00W C00Z C018 -3(3) . . . . ?
C01D C00O C01H C01G 0(5) . . . . ?
C01E P008 C009 C00C -177.1(19) . . . . ?
C01E P008 C009 C00G -2(2) . . . . ?
C01E P008 C00D C00A -63.8(19) . . . . ?
C01E P008 C00D C014 112(2) . . . . ?
C01E P008 C00W C00Z 44.9(19) . . . . ?
C01E P008 C00W C01C -131.7(18) . . . . ?
C01E C016 C01A C00P -3(3) . . . . ?
C01G C00L C01J C01D -1(4) . . . . ?
C01H C00O C01D C01J -2(5) . . . . ?
C01I C00V C014 C00D 0(4) . . . . ?
C01J C00L C01G C01H 0(4) . . . . ?
C01K C013 C01B C00U -6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2321718'
loop_
_audit_author_name
_audit_author_address
'yongqiang zhou'
;Chongqing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-07-09 downloaded from the CCDC.
;
_audit_creation_date             2023-04-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag Br2, C24 H20 P'
_chemical_formula_sum            'C24 H20 Ag Br2 P'
_chemical_formula_weight         607.06
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   14.4708(11)
_cell_length_b                   7.8856(6)
_cell_length_c                   19.9274(15)
_cell_angle_alpha                90
_cell_angle_beta                 103.067(3)
_cell_angle_gamma                90
_cell_volume                     2215.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9951
_cell_measurement_temperature    298.30
_cell_measurement_theta_max      57.137
_cell_measurement_theta_min      2.986
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.597
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.1140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1790 before and 0.1104 after correction.
The Ratio of minimum to maximum transmission is 0.1518.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16140
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.582
_diffrn_ambient_temperature      298.30
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3594
_reflns_number_total             3875
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.454
_refine_diff_density_min         -1.243
_refine_diff_density_rms         0.293
_refine_ls_extinction_coef       0.0251(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3875
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0718
_refine_ls_restrained_S_all      1.078
_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)+(0.1354P)²+2.5518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1794
_refine_ls_wR_factor_ref         0.1822
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C10(H10), C14(H14), C16(H16), C18(H18), C22(H22),
 C24(H24), C3(H3), C13(H13), C7(H7), C15(H15), C2(H2), C9(H9), C19(H19), C5(H5),
  C21(H21), C11(H11), C23(H23)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.39455(3) -0.06494(6) 0.52593(2) 0.0338(3) Uani 1 1 d . . . . .
Br1 Br 0.26971(4) -0.17316(9) 0.58323(3) 0.0377(3) Uani 1 1 d . . . . .
Br2 Br 0.41644(4) 0.13990(8) 0.42736(3) 0.0297(3) Uani 1 1 d . . . . .
P1 P 0.53616(8) 0.59127(16) 0.82490(6) 0.0137(3) Uani 1 1 d . . . . .
C1 C 0.5628(4) 0.4410(6) 0.8946(3) 0.0181(10) Uani 1 1 d . . . . .
C4 C 0.5213(5) 0.2221(8) 0.6807(3) 0.0344(14) Uani 1 1 d . . . . .
H4 H 0.539575 0.109482 0.678679 0.041 Uiso 1 1 calc R U . . .
C6 C 0.6948(4) 0.7699(7) 0.8933(3) 0.0234(11) Uani 1 1 d . . . . .
H6 H 0.685629 0.718455 0.933322 0.028 Uiso 1 1 calc R U . . .
C8 C 0.4915(4) 0.3844(7) 0.9260(3) 0.0228(11) Uani 1 1 d . . . . .
H8 H 0.431058 0.431370 0.914405 0.027 Uiso 1 1 calc R U . . .
C10 C 0.7793(4) 0.9654(8) 0.8372(4) 0.0339(14) Uani 1 1 d . . . . .
H10 H 0.827472 1.044955 0.840054 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6360(3) 0.7290(6) 0.8295(3) 0.0173(10) Uani 1 1 d . . . . .
C14 C 0.5127(4) 0.2567(8) 0.9750(3) 0.0309(13) Uani 1 1 d . . . . .
H14 H 0.465683 0.216941 0.996050 0.037 Uiso 1 1 calc R U . . .
C16 C 0.3462(4) 0.6499(7) 0.8179(3) 0.0251(12) Uani 1 1 d . . . . .
H16 H 0.339003 0.533482 0.811366 0.030 Uiso 1 1 calc R U . . .
C18 C 0.6024(5) 0.1880(8) 0.9928(3) 0.0356(14) Uani 1 1 d . . . . .
H18 H 0.615344 0.101495 1.025341 0.043 Uiso 1 1 calc R U . . .
C20 C 0.4352(3) 0.7232(7) 0.8267(2) 0.0192(11) Uani 1 1 d . . . . .
C22 C 0.2786(4) 0.9239(8) 0.8275(3) 0.0332(14) Uani 1 1 d . . . . .
H22 H 0.226259 0.991933 0.827931 0.040 Uiso 1 1 calc R U . . .
C24 C 0.3682(4) 0.9962(8) 0.8356(3) 0.0332(13) Uani 1 1 d . . . . .
H24 H 0.375623 1.112885 0.840979 0.040 Uiso 1 1 calc R U . . .
C3 C 0.5377(4) 0.3048(7) 0.7430(3) 0.0264(12) Uani 1 1 d . . . . .
H3 H 0.566236 0.248312 0.783315 0.032 Uiso 1 1 calc R U . . .
C13 C 0.6532(4) 0.3726(7) 0.9137(3) 0.0256(12) Uani 1 1 d . . . . .
H13 H 0.700854 0.411923 0.893275 0.031 Uiso 1 1 calc R U . . .
C7 C 0.6727(4) 0.2463(8) 0.9629(3) 0.0309(13) Uani 1 1 d . . . . .
H7 H 0.733431 0.200954 0.975727 0.037 Uiso 1 1 calc R U . . .
C15 C 0.4659(4) 0.5576(7) 0.6841(3) 0.0216(11) Uani 1 1 d . . . . .
H15 H 0.446527 0.669780 0.685427 0.026 Uiso 1 1 calc R U . . .
C2 C 0.4779(4) 0.3058(8) 0.6211(3) 0.0327(14) Uani 1 1 d . . . . .
H2 H 0.467013 0.248522 0.579223 0.039 Uiso 1 1 calc R U . . .
C17 C 0.5108(3) 0.4749(7) 0.7450(3) 0.0185(10) Uani 1 1 d . . . . .
C9 C 0.4506(4) 0.4722(8) 0.6226(3) 0.0265(12) Uani 1 1 d . . . . .
H9 H 0.421798 0.527005 0.581922 0.032 Uiso 1 1 calc R U . . .
C19 C 0.4461(4) 0.8953(7) 0.8357(3) 0.0242(11) Uani 1 1 d . . . . .
H19 H 0.505990 0.943743 0.841901 0.029 Uiso 1 1 calc R U . . .
C5 C 0.7657(4) 0.8858(8) 0.8965(3) 0.0317(13) Uani 1 1 d . . . . .
H5 H 0.805481 0.911810 0.938870 0.038 Uiso 1 1 calc R U . . .
C21 C 0.7214(4) 0.9267(7) 0.7741(3) 0.0289(13) Uani 1 1 d . . . . .
H21 H 0.730070 0.980551 0.734500 0.035 Uiso 1 1 calc R U . . .
C11 C 0.2677(4) 0.7507(9) 0.8188(3) 0.0336(14) Uani 1 1 d . . . . .
H11 H 0.208063 0.701652 0.813601 0.040 Uiso 1 1 calc R U . . .
C23 C 0.6498(4) 0.8065(7) 0.7700(3) 0.0225(11) Uani 1 1 d . . . . .
H23 H 0.611315 0.778121 0.727445 0.027 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Br1 2.4958(7) . ?
Ag1 Br2 2.7469(7) 3_656 ?
Ag1 Br2 2.6170(7) . ?
P1 C1 1.800(5) . ?
P1 C12 1.794(5) . ?
P1 C20 1.801(5) . ?
P1 C17 1.802(5) . ?
C1 C8 1.395(7) . ?
C1 C13 1.386(8) . ?
C4 H4 0.9300 . ?
C4 C3 1.375(8) . ?
C4 C2 1.379(9) . ?
C6 H6 0.9300 . ?
C6 C12 1.398(7) . ?
C6 C5 1.365(8) . ?
C8 H8 0.9300 . ?
C8 C14 1.388(9) . ?
C10 H10 0.9300 . ?
C10 C5 1.392(10) . ?
C10 C21 1.377(9) . ?
C12 C23 1.388(8) . ?
C14 H14 0.9300 . ?
C14 C18 1.378(10) . ?
C16 H16 0.9300 . ?
C16 C20 1.386(8) . ?
C16 C11 1.389(8) . ?
C18 H18 0.9300 . ?
C18 C7 1.369(9) . ?
C20 C19 1.373(8) . ?
C22 H22 0.9300 . ?
C22 C24 1.392(10) . ?
C22 C11 1.381(10) . ?
C24 H24 0.9300 . ?
C24 C19 1.379(8) . ?
C3 H3 0.9300 . ?
C3 C17 1.400(8) . ?
C13 H13 0.9300 . ?
C13 C7 1.382(8) . ?
C7 H7 0.9300 . ?
C15 H15 0.9300 . ?
C15 C17 1.401(7) . ?
C15 C9 1.373(8) . ?
C2 H2 0.9300 . ?
C2 C9 1.373(9) . ?
C9 H9 0.9300 . ?
C19 H19 0.9300 . ?
C5 H5 0.9300 . ?
C21 H21 0.9300 . ?
C21 C23 1.393(8) . ?
C11 H11 0.9300 . ?
C23 H23 0.9300 . ?

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
Br1 Ag1 Br2 141.02(3) . . ?
Br1 Ag1 Br2 122.66(3) . 3_656 ?
Br2 Ag1 Br2 96.14(2) . 3_656 ?
Ag1 Br2 Ag1 83.86(2) . 3_656 ?
C1 P1 C20 113.4(2) . . ?
C1 P1 C17 108.2(2) . . ?
C12 P1 C1 109.2(2) . . ?
C12 P1 C20 107.3(2) . . ?
C12 P1 C17 110.8(2) . . ?
C20 P1 C17 107.9(2) . . ?
C8 C1 P1 120.4(4) . . ?
C13 C1 P1 119.4(4) . . ?
C13 C1 C8 120.0(5) . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C2 120.2(6) . . ?
C2 C4 H4 119.9 . . ?
C12 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C12 119.6(5) . . ?
C1 C8 H8 120.7 . . ?
C14 C8 C1 118.7(5) . . ?
C14 C8 H8 120.7 . . ?
C5 C10 H10 119.9 . . ?
C21 C10 H10 119.9 . . ?
C21 C10 C5 120.1(5) . . ?
C6 C12 P1 120.3(4) . . ?
C23 C12 P1 119.5(4) . . ?
C23 C12 C6 120.1(5) . . ?
C8 C14 H14 119.6 . . ?
C18 C14 C8 120.8(5) . . ?
C18 C14 H14 119.6 . . ?
C20 C16 H16 120.0 . . ?
C20 C16 C11 119.9(5) . . ?
C11 C16 H16 120.0 . . ?
C14 C18 H18 119.8 . . ?
C7 C18 C14 120.3(6) . . ?
C7 C18 H18 119.8 . . ?
C16 C20 P1 119.4(4) . . ?
C19 C20 P1 120.2(4) . . ?
C19 C20 C16 120.3(5) . . ?
C24 C22 H22 120.1 . . ?
C11 C22 H22 120.1 . . ?
C11 C22 C24 119.8(5) . . ?
C22 C24 H24 119.9 . . ?
C19 C24 C22 120.2(6) . . ?
C19 C24 H24 119.9 . . ?
C4 C3 H3 120.4 . . ?
C4 C3 C17 119.2(5) . . ?
C17 C3 H3 120.4 . . ?
C1 C13 H13 119.9 . . ?
C7 C13 C1 120.2(5) . . ?
C7 C13 H13 119.9 . . ?
C18 C7 C13 119.9(6) . . ?
C18 C7 H7 120.0 . . ?
C13 C7 H7 120.0 . . ?
C17 C15 H15 120.2 . . ?
C9 C15 H15 120.2 . . ?
C9 C15 C17 119.6(5) . . ?
C4 C2 H2 119.5 . . ?
C9 C2 C4 121.0(5) . . ?
C9 C2 H2 119.5 . . ?
C3 C17 P1 120.7(4) . . ?
C3 C17 C15 119.9(5) . . ?
C15 C17 P1 119.3(4) . . ?
C15 C9 H9 120.0 . . ?
C2 C9 C15 120.0(5) . . ?
C2 C9 H9 120.0 . . ?
C20 C19 C24 120.0(5) . . ?
C20 C19 H19 120.0 . . ?
C24 C19 H19 120.0 . . ?
C6 C5 C10 120.7(6) . . ?
C6 C5 H5 119.6 . . ?
C10 C5 H5 119.6 . . ?
C10 C21 H21 120.1 . . ?
C10 C21 C23 119.7(6) . . ?
C23 C21 H21 120.1 . . ?
C16 C11 H11 120.1 . . ?
C22 C11 C16 119.8(5) . . ?
C22 C11 H11 120.1 . . ?
C12 C23 C21 119.8(5) . . ?
C12 C23 H23 120.1 . . ?
C21 C23 H23 120.1 . . ?

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
P1 C1 C8 C14 173.9(4) . . . . ?
P1 C1 C13 C7 -174.3(4) . . . . ?
P1 C12 C23 C21 173.5(4) . . . . ?
P1 C20 C19 C24 178.6(4) . . . . ?
C1 P1 C12 C6 -31.4(5) . . . . ?
C1 P1 C12 C23 154.2(4) . . . . ?
C1 P1 C20 C16 -64.7(5) . . . . ?
C1 P1 C20 C19 116.3(4) . . . . ?
C1 P1 C17 C3 -17.1(5) . . . . ?
C1 P1 C17 C15 164.5(4) . . . . ?
C1 C8 C14 C18 0.6(9) . . . . ?
C1 C13 C7 C18 0.2(9) . . . . ?
C4 C3 C17 P1 -176.9(5) . . . . ?
C4 C3 C17 C15 1.5(8) . . . . ?
C4 C2 C9 C15 -0.4(9) . . . . ?
C6 C12 C23 C21 -0.9(8) . . . . ?
C8 C1 C13 C7 1.1(8) . . . . ?
C8 C14 C18 C7 0.7(10) . . . . ?
C10 C21 C23 C12 1.3(9) . . . . ?
C12 P1 C1 C8 145.7(4) . . . . ?
C12 P1 C1 C13 -38.9(5) . . . . ?
C12 P1 C20 C16 174.6(4) . . . . ?
C12 P1 C20 C19 -4.5(5) . . . . ?
C12 P1 C17 C3 102.6(5) . . . . ?
C12 P1 C17 C15 -75.8(5) . . . . ?
C12 C6 C5 C10 0.9(9) . . . . ?
C14 C18 C7 C13 -1.2(9) . . . . ?
C16 C20 C19 C24 -0.4(8) . . . . ?
C20 P1 C1 C8 26.0(5) . . . . ?
C20 P1 C1 C13 -158.5(4) . . . . ?
C20 P1 C12 C6 92.0(5) . . . . ?
C20 P1 C12 C23 -82.5(4) . . . . ?
C20 P1 C17 C3 -140.2(4) . . . . ?
C20 P1 C17 C15 41.4(5) . . . . ?
C20 C16 C11 C22 1.0(9) . . . . ?
C22 C24 C19 C20 1.0(9) . . . . ?
C24 C22 C11 C16 -0.3(9) . . . . ?
C3 C4 C2 C9 0.2(10) . . . . ?
C13 C1 C8 C14 -1.6(8) . . . . ?
C2 C4 C3 C17 -0.8(9) . . . . ?
C17 P1 C1 C8 -93.7(5) . . . . ?
C17 P1 C1 C13 81.8(5) . . . . ?
C17 P1 C12 C6 -150.4(4) . . . . ?
C17 P1 C12 C23 35.1(5) . . . . ?
C17 P1 C20 C16 55.2(5) . . . . ?
C17 P1 C20 C19 -123.9(4) . . . . ?
C17 C15 C9 C2 1.1(8) . . . . ?
C9 C15 C17 P1 176.8(4) . . . . ?
C9 C15 C17 C3 -1.6(8) . . . . ?
C5 C6 C12 P1 -174.6(4) . . . . ?
C5 C6 C12 C23 -0.2(8) . . . . ?
C5 C10 C21 C23 -0.5(9) . . . . ?
C21 C10 C5 C6 -0.6(9) . . . . ?
C11 C16 C20 P1 -179.6(5) . . . . ?
C11 C16 C20 C19 -0.6(8) . . . . ?
C11 C22 C24 C19 -0.7(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20230711-lja-1
_database_code_depnum_ccdc_archive 'CCDC 2321719'
loop_
_audit_author_name
_audit_author_address
'yongqiang zhou'
;Chongqing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-07-09 downloaded from the CCDC.
;
_audit_creation_date             2023-07-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag Cl2, C24 H20 P'
_chemical_formula_sum            'C24 H20 Ag Cl2 P'
_chemical_formula_weight         518.14
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C24 H20 P Ag Cl2'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   14.2365(6)
_cell_length_b                   8.0965(3)
_cell_length_c                   19.2365(9)
_cell_angle_alpha                90
_cell_angle_beta                 101.581(4)
_cell_angle_gamma                90
_cell_volume                     2172.17(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7305
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2070
_cell_measurement_theta_min      2.2150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.255
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66339
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18519
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.001
_diffrn_reflns_theta_min         1.983
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0892
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -6.00  89.00   1.00    2.87    --   18.58  38.00 -30.00   95
  2  ω      7.00  68.00   1.00    2.87    --   18.58  57.00 150.00   61
  3  ω     -2.00  86.00   1.00    2.87    --   18.58  57.00   0.00   88
  4  ω     35.00  94.00   1.00    2.87    --   18.58-178.00-150.00   59
  5  ω     42.00  70.00   1.00    2.87    --   18.58 178.00 -90.00   28
  6  ω      0.00  73.00   1.00    2.87    --   18.58  57.00  90.00   73
  7  ω    -22.00  14.00   1.00    2.87    --  -18.74 -87.00 169.00   36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0093721000
_diffrn_orient_matrix_UB_12      -0.0629463000
_diffrn_orient_matrix_UB_13      0.0232944000
_diffrn_orient_matrix_UB_21      0.0430536000
_diffrn_orient_matrix_UB_22      0.0203581000
_diffrn_orient_matrix_UB_23      0.0240373000
_diffrn_orient_matrix_UB_31      -0.0254049000
_diffrn_orient_matrix_UB_32      0.0576348000
_diffrn_orient_matrix_UB_33      0.0170373000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3947
_reflns_number_total             5240
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.360
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         5240
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0422
_refine_ls_restrained_S_all      1.086
_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)+(0.0531P)²+1.8852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1276
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C009(H009), C00A(H00A), C00B(H00B), C00C(H00C), C00D(H00D), C00E(H00E),
 C00F(H00F), C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J), C00K(H00K),
 C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q),
 C00R(H00R), C00S(H00S)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag01 Ag 0.61454(3) 0.94498(4) 0.47633(2) 0.06591(15) Uani 1 1 d . . . . .
P002 P 0.46664(5) 0.60250(9) 0.17934(4) 0.02970(17) Uani 1 1 d . . . . .
Cl03 Cl 0.58108(6) 1.11864(11) 0.57299(4) 0.0465(2) Uani 1 1 d . . . . .
Cl04 Cl 0.72670(7) 0.82538(14) 0.41561(6) 0.0635(3) Uani 1 1 d . . . . .
C005 C 0.3668(2) 0.7419(4) 0.17230(16) 0.0317(6) Uani 1 1 d . . . . .
C006 C 0.4878(2) 0.4930(4) 0.26213(16) 0.0328(6) Uani 1 1 d . . . . .
C007 C 0.4409(2) 0.4528(4) 0.10908(16) 0.0340(6) Uani 1 1 d . . . . .
C008 C 0.5702(2) 0.7259(4) 0.17556(16) 0.0355(7) Uani 1 1 d . . . . .
C009 C 0.3519(2) 0.8282(4) 0.23147(18) 0.0385(7) Uani 1 1 d . . . . .
H009 H 0.388234 0.803566 0.276074 0.046 Uiso 1 1 calc R U . . .
C00A C 0.3121(2) 0.7786(4) 0.10548(18) 0.0395(7) Uani 1 1 d . . . . .
H00A H 0.322013 0.721809 0.065536 0.047 Uiso 1 1 calc R U . . .
C00B C 0.3478(2) 0.3905(4) 0.09023(18) 0.0422(7) Uani 1 1 d . . . . .
H00B H 0.299215 0.432941 0.110903 0.051 Uiso 1 1 calc R U . . .
C00C C 0.5285(2) 0.5770(4) 0.32441(17) 0.0394(7) Uani 1 1 d . . . . .
H00C H 0.546784 0.686973 0.322652 0.047 Uiso 1 1 calc R U . . .
C00D C 0.4628(3) 0.3269(4) 0.26524(19) 0.0445(8) Uani 1 1 d . . . . .
H00D H 0.436541 0.270031 0.223914 0.053 Uiso 1 1 calc R U . . .
C00E C 0.5613(3) 0.8963(4) 0.16572(18) 0.0441(8) Uani 1 1 d . . . . .
H00E H 0.501686 0.946741 0.161059 0.053 Uiso 1 1 calc R U . . .
C00F C 0.5132(3) 0.3873(4) 0.07820(18) 0.0434(8) Uani 1 1 d . . . . .
H00F H 0.575290 0.428956 0.090006 0.052 Uiso 1 1 calc R U . . .
C00G C 0.2427(3) 0.9011(5) 0.0995(2) 0.0500(9) Uani 1 1 d . . . . .
H00G H 0.205090 0.925346 0.055274 0.060 Uiso 1 1 calc R U . . .
C00H C 0.2291(3) 0.9872(5) 0.1585(2) 0.0552(10) Uani 1 1 d . . . . .
H00H H 0.183178 1.070287 0.153882 0.066 Uiso 1 1 calc R U . . .
C00I C 0.2830(3) 0.9508(4) 0.2240(2) 0.0485(9) Uani 1 1 d . . . . .
H00I H 0.273267 1.008842 0.263678 0.058 Uiso 1 1 calc R U . . .
C00J C 0.5412(3) 0.4947(5) 0.38881(19) 0.0486(8) Uani 1 1 d . . . . .
H00J H 0.566968 0.550358 0.430578 0.058 Uiso 1 1 calc R U . . .
C00K C 0.6599(2) 0.6514(5) 0.18323(19) 0.0494(9) Uani 1 1 d . . . . .
H00K H 0.666400 0.538314 0.191136 0.059 Uiso 1 1 calc R U . . .
C00L C 0.4918(3) 0.2593(5) 0.0296(2) 0.0549(10) Uani 1 1 d . . . . .
H00L H 0.539849 0.214118 0.009212 0.066 Uiso 1 1 calc R U . . .
C00M C 0.5161(3) 0.3311(5) 0.3913(2) 0.0544(10) Uani 1 1 d . . . . .
H00M H 0.525383 0.276924 0.434804 0.065 Uiso 1 1 calc R U . . .
C00N C 0.3283(3) 0.2652(5) 0.0407(2) 0.0531(9) Uani 1 1 d . . . . .
H00N H 0.266038 0.225507 0.026951 0.064 Uiso 1 1 calc R U . . .
C00O C 0.4774(3) 0.2471(5) 0.3305(2) 0.0559(10) Uani 1 1 d . . . . .
H00O H 0.460934 0.136424 0.332810 0.067 Uiso 1 1 calc R U . . .
C00P C 0.4002(3) 0.1992(5) 0.0115(2) 0.0589(10) Uani 1 1 d . . . . .
H00P H 0.386738 0.112745 -0.020765 0.071 Uiso 1 1 calc R U . . .
C00Q C 0.6420(3) 0.9896(5) 0.1629(2) 0.0575(10) Uani 1 1 d . . . . .
H00Q H 0.636667 1.103557 0.157367 0.069 Uiso 1 1 calc R U . . .
C00R C 0.7292(3) 0.9156(6) 0.1683(2) 0.0666(12) Uani 1 1 d . . . . .
H00R H 0.782513 0.979006 0.164704 0.080 Uiso 1 1 calc R U . . .
C00S C 0.7391(3) 0.7466(6) 0.1790(2) 0.0662(12) Uani 1 1 d . . . . .
H00S H 0.799027 0.697380 0.183378 0.079 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ag01 Cl03 2.4529(9) . ?
Ag01 Cl03 2.8035(9) 3_676 ?
Ag01 Cl04 2.3666(10) . ?
P002 C005 1.798(3) . ?
P002 C006 1.795(3) . ?
P002 C007 1.797(3) . ?
P002 C008 1.795(3) . ?
C005 C009 1.388(4) . ?
C005 C00A 1.394(4) . ?
C006 C00C 1.398(5) . ?
C006 C00D 1.395(4) . ?
C007 C00B 1.397(4) . ?
C007 C00F 1.393(5) . ?
C008 C00E 1.394(5) . ?
C008 C00K 1.392(5) . ?
C009 H009 0.9300 . ?
C009 C00I 1.383(5) . ?
C00A H00A 0.9300 . ?
C00A C00G 1.389(5) . ?
C00B H00B 0.9300 . ?
C00B C00N 1.381(5) . ?
C00C H00C 0.9300 . ?
C00C C00J 1.386(5) . ?
C00D H00D 0.9300 . ?
C00D C00O 1.389(5) . ?
C00E H00E 0.9300 . ?
C00E C00Q 1.385(5) . ?
C00F H00F 0.9300 . ?
C00F C00L 1.388(5) . ?
C00G H00G 0.9300 . ?
C00G C00H 1.380(6) . ?
C00H H00H 0.9300 . ?
C00H C00I 1.369(6) . ?
C00I H00I 0.9300 . ?
C00J H00J 0.9300 . ?
C00J C00M 1.375(6) . ?
C00K H00K 0.9300 . ?
C00K C00S 1.382(5) . ?
C00L H00L 0.9300 . ?
C00L C00P 1.369(6) . ?
C00M H00M 0.9300 . ?
C00M C00O 1.370(6) . ?
C00N H00N 0.9300 . ?
C00N C00P 1.370(6) . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.364(7) . ?
C00R H00R 0.9300 . ?
C00R C00S 1.387(7) . ?
C00S H00S 0.9300 . ?

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
Cl03 Ag01 Cl03 91.78(3) . 3_676 ?
Cl04 Ag01 Cl03 118.72(3) . 3_676 ?
Cl04 Ag01 Cl03 149.50(4) . . ?
C006 P002 C005 111.48(14) . . ?
C006 P002 C007 107.86(14) . . ?
C006 P002 C008 108.56(14) . . ?
C007 P002 C005 109.13(14) . . ?
C008 P002 C005 106.91(14) . . ?
C008 P002 C007 112.97(15) . . ?
Ag01 Cl03 Ag01 88.22(3) . 3_676 ?
C009 C005 P002 120.2(2) . . ?
C009 C005 C00A 120.0(3) . . ?
C00A C005 P002 119.3(2) . . ?
C00C C006 P002 119.1(2) . . ?
C00D C006 P002 121.0(3) . . ?
C00D C006 C00C 119.8(3) . . ?
C00B C007 P002 118.6(2) . . ?
C00F C007 P002 121.4(3) . . ?
C00F C007 C00B 119.7(3) . . ?
C00E C008 P002 120.2(3) . . ?
C00K C008 P002 119.8(3) . . ?
C00K C008 C00E 120.0(3) . . ?
C005 C009 H009 120.1 . . ?
C00I C009 C005 119.9(3) . . ?
C00I C009 H009 120.1 . . ?
C005 C00A H00A 120.5 . . ?
C00G C00A C005 119.0(3) . . ?
C00G C00A H00A 120.5 . . ?
C007 C00B H00B 120.2 . . ?
C00N C00B C007 119.5(3) . . ?
C00N C00B H00B 120.2 . . ?
C006 C00C H00C 120.4 . . ?
C00J C00C C006 119.3(3) . . ?
C00J C00C H00C 120.4 . . ?
C006 C00D H00D 120.2 . . ?
C00O C00D C006 119.6(3) . . ?
C00O C00D H00D 120.2 . . ?
C008 C00E H00E 120.3 . . ?
C00Q C00E C008 119.4(4) . . ?
C00Q C00E H00E 120.3 . . ?
C007 C00F H00F 120.3 . . ?
C00L C00F C007 119.3(3) . . ?
C00L C00F H00F 120.3 . . ?
C00A C00G H00G 119.8 . . ?
C00H C00G C00A 120.5(3) . . ?
C00H C00G H00G 119.8 . . ?
C00G C00H H00H 119.9 . . ?
C00I C00H C00G 120.3(3) . . ?
C00I C00H H00H 119.9 . . ?
C009 C00I H00I 119.8 . . ?
C00H C00I C009 120.3(4) . . ?
C00H C00I H00I 119.8 . . ?
C00C C00J H00J 119.8 . . ?
C00M C00J C00C 120.4(4) . . ?
C00M C00J H00J 119.8 . . ?
C008 C00K H00K 120.2 . . ?
C00S C00K C008 119.6(4) . . ?
C00S C00K H00K 120.2 . . ?
C00F C00L H00L 119.8 . . ?
C00P C00L C00F 120.4(4) . . ?
C00P C00L H00L 119.8 . . ?
C00J C00M H00M 119.7 . . ?
C00O C00M C00J 120.7(3) . . ?
C00O C00M H00M 119.7 . . ?
C00B C00N H00N 119.8 . . ?
C00P C00N C00B 120.4(4) . . ?
C00P C00N H00N 119.8 . . ?
C00D C00O H00O 119.9 . . ?
C00M C00O C00D 120.2(3) . . ?
C00M C00O H00O 119.9 . . ?
C00L C00P C00N 120.6(4) . . ?
C00L C00P H00P 119.7 . . ?
C00N C00P H00P 119.7 . . ?
C00E C00Q H00Q 119.8 . . ?
C00R C00Q C00E 120.5(4) . . ?
C00R C00Q H00Q 119.8 . . ?
C00Q C00R H00R 119.7 . . ?
C00Q C00R C00S 120.6(4) . . ?
C00S C00R H00R 119.7 . . ?
C00K C00S C00R 120.0(4) . . ?
C00K C00S H00S 120.0 . . ?
C00R C00S H00S 120.0 . . ?

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
P002 C005 C009 C00I 171.5(3) . . . . ?
P002 C005 C00A C00G -172.2(3) . . . . ?
P002 C006 C00C C00J 177.3(3) . . . . ?
P002 C006 C00D C00O -178.0(3) . . . . ?
P002 C007 C00B C00N -174.5(3) . . . . ?
P002 C007 C00F C00L 173.1(3) . . . . ?
P002 C008 C00E C00Q 180.0(3) . . . . ?
P002 C008 C00K C00S 178.9(3) . . . . ?
C005 P002 C006 C00C -73.3(3) . . . . ?
C005 P002 C006 C00D 105.6(3) . . . . ?
C005 P002 C007 C00B -39.1(3) . . . . ?
C005 P002 C007 C00F 147.0(3) . . . . ?
C005 P002 C008 C00E -2.4(3) . . . . ?
C005 P002 C008 C00K 176.9(3) . . . . ?
C005 C009 C00I C00H 0.2(5) . . . . ?
C005 C00A C00G C00H 1.1(5) . . . . ?
C006 P002 C005 C009 37.6(3) . . . . ?
C006 P002 C005 C00A -150.6(2) . . . . ?
C006 P002 C007 C00B 82.2(3) . . . . ?
C006 P002 C007 C00F -91.7(3) . . . . ?
C006 P002 C008 C00E -122.8(3) . . . . ?
C006 P002 C008 C00K 56.6(3) . . . . ?
C006 C00C C00J C00M 1.4(5) . . . . ?
C006 C00D C00O C00M 0.0(6) . . . . ?
C007 P002 C005 C009 156.6(2) . . . . ?
C007 P002 C005 C00A -31.6(3) . . . . ?
C007 P002 C006 C00C 166.9(3) . . . . ?
C007 P002 C006 C00D -14.1(3) . . . . ?
C007 P002 C008 C00E 117.6(3) . . . . ?
C007 P002 C008 C00K -63.0(3) . . . . ?
C007 C00B C00N C00P 1.8(5) . . . . ?
C007 C00F C00L C00P 0.8(5) . . . . ?
C008 P002 C005 C009 -80.9(3) . . . . ?
C008 P002 C005 C00A 90.9(3) . . . . ?
C008 P002 C006 C00C 44.2(3) . . . . ?
C008 P002 C006 C00D -136.9(3) . . . . ?
C008 P002 C007 C00B -157.8(2) . . . . ?
C008 P002 C007 C00F 28.3(3) . . . . ?
C008 C00E C00Q C00R 1.3(6) . . . . ?
C008 C00K C00S C00R 1.0(6) . . . . ?
C009 C005 C00A C00G -0.4(5) . . . . ?
C00A C005 C009 C00I -0.2(5) . . . . ?
C00A C00G C00H C00I -1.0(6) . . . . ?
C00B C007 C00F C00L -0.8(5) . . . . ?
C00B C00N C00P C00L -1.8(6) . . . . ?
C00C C006 C00D C00O 0.9(5) . . . . ?
C00C C00J C00M C00O -0.5(6) . . . . ?
C00D C006 C00C C00J -1.6(5) . . . . ?
C00E C008 C00K C00S -1.8(5) . . . . ?
C00E C00Q C00R C00S -2.2(7) . . . . ?
C00F C007 C00B C00N -0.5(5) . . . . ?
C00F C00L C00P C00N 0.5(6) . . . . ?
C00G C00H C00I C009 0.4(6) . . . . ?
C00J C00M C00O C00D -0.3(6) . . . . ?
C00K C008 C00E C00Q 0.7(5) . . . . ?
C00Q C00R C00S C00K 1.0(7) . . . . ?


_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 1.396
_oxdiff_exptl_absorpt_empirical_full_min 0.791
