# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 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. 
# 
#######################################################################

data_a23112204a0724
_database_code_depnum_ccdc_archive 'CCDC 2343003'
loop_
_audit_author_name
_audit_author_address
'zhe chen'
;sun yat sen university
China
;
_audit_update_record             
;
2024-03-25 deposited with the CCDC.	2024-11-21 downloaded from the CCDC.
;
_audit_creation_date             2023-11-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C9 H12 Ag N4, F6 P, C2 H3 N'
_chemical_formula_sum            'C11 H15 Ag F6 N5 P'
_chemical_formula_weight         470.12
_chemical_melting_point          ?
_chemical_oxdiff_formula         C11H17AgF6N5P
_chemical_oxdiff_usercomment     327
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   8.9329(4)
_cell_length_b                   9.2591(3)
_cell_length_c                   11.0005(4)
_cell_angle_alpha                97.817(3)
_cell_angle_beta                 98.360(3)
_cell_angle_gamma                109.228(4)
_cell_volume                     833.34(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4598
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      75.9650
_cell_measurement_theta_min      4.1150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.263
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.00076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.003
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0687
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6153
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.068
_diffrn_reflns_theta_min         4.143
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -112.00 -17.00   1.00    1.00    --  -41.94 -57.00   0.00   95
  2  ω    -62.00  27.00   1.00    1.00    --  -41.94  57.00 -90.00   89
  3  ω   -112.00 -16.00   1.00    1.00    --  -41.94 -57.00 120.00   96
  4  ω     20.00  72.00   1.00    1.00    --   41.94 -99.00  60.00   52
  5  ω     59.00  84.00   1.00    1.00    --   41.94-125.00 -60.00   25
  6  ω     65.00 119.00   1.00    1.48    --  111.00 178.00 150.00   54
  7  ω     36.00 133.00   1.00    1.48    --  111.00 -30.00  30.00   97
  8  ω     87.00 150.00   1.00    1.48    --  111.00  30.00  30.00   63
  9  ω     81.00 109.00   1.00    1.48    --  111.00-111.00-120.00   28
 10  ω     41.00  96.00   1.00    1.48    --  111.00 -30.00-150.00   55
 11  ω     84.00 122.00   1.00    1.48    --  111.00 -61.00 -30.00   38
 12  ω     46.00 119.00   1.00    1.48    --  111.00 -61.00 150.00   73
 13  ω     43.00 133.00   1.00    1.48    --  111.00 -30.00 120.00   90
 14  ω     82.00 109.00   1.00    1.48    --  111.00-111.00  90.00   27
 15  ω    150.00 175.00   1.00    1.48    --  111.00 111.00  60.00   25
 16  ω     79.00 109.00   1.00    1.48    --  111.00-111.00 -30.00   30
 17  ω    115.00 140.00   1.00    1.48    --  111.00 111.00  60.00   25
 18  ω     50.00  76.00   1.00    1.48    --  111.00-111.00-180.00   26
 19  ω     78.00 109.00   1.00    1.48    --  111.00-111.00-180.00   31
 20  ω     52.00  91.00   1.00    1.48    --  111.00 -94.00 120.00   39
 21  ω    110.00 135.00   1.00    1.48    --  111.00 111.00 120.00   25
 22  ω     90.00 143.00   1.00    1.48    --  111.00 178.00 120.00   53
 23  ω    107.00 170.00   1.00    1.48    --  111.00 111.00  90.00   63
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0288066000
_diffrn_orient_matrix_UB_12      0.0934003000
_diffrn_orient_matrix_UB_13      0.1336549000
_diffrn_orient_matrix_UB_21      0.1582337000
_diffrn_orient_matrix_UB_22      0.1175003000
_diffrn_orient_matrix_UB_23      -0.0200531000
_diffrn_orient_matrix_UB_31      -0.0945016000
_diffrn_orient_matrix_UB_32      0.0988580000
_diffrn_orient_matrix_UB_33      -0.0507747000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3182
_reflns_number_total             3372
_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 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)'
_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         1.256
_refine_diff_density_min         -1.173
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3372
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0599
_refine_ls_restrained_S_all      1.078
_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)+(0.1020P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1432
_refine_ls_wR_factor_ref         0.1471
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00B(H00A,H00B)
2.b Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00J(H00J), C00K(H00K), C00N(H00N)
2.c Idealised Me refined as rotating group:
 C00H(H00C,H00D,H00E), C00I(H00L,H00M,H00O), C00L(H00G,H00H,H00I)
;
_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 0.65156(3) 0.44377(3) 0.54566(3) 0.02427(16) Uani 1 1 d . . . . .
P002 P 0.15910(15) 0.29468(15) 0.73742(12) 0.0297(3) Uani 1 1 d . . . . .
N003 N 0.6706(5) 0.1611(5) 0.3702(4) 0.0253(8) Uani 1 1 d . . . . .
F004 F -0.0248(5) 0.2435(5) 0.7525(7) 0.087(2) Uani 1 1 d . . . . .
N005 N 0.4254(5) 0.1180(5) 0.3880(4) 0.0230(7) Uani 1 1 d . . . . .
F006 F 0.3412(5) 0.3396(5) 0.7215(5) 0.0605(11) Uani 1 1 d . . . . .
C007 C 0.5776(6) 0.2278(5) 0.4220(4) 0.0209(8) Uani 1 1 d . . . . .
C008 C 0.2445(5) 0.3582(5) 0.3102(4) 0.0212(8) Uani 1 1 d . . . . .
N7 N 0.1724(5) 0.3597(5) 0.1941(4) 0.0280(8) Uani 1 1 d . . . . .
F00A F 0.1091(6) 0.1390(5) 0.6357(5) 0.0657(13) Uani 1 1 d . . . . .
C00B C 0.2810(6) 0.1455(5) 0.4123(4) 0.0248(9) Uani 1 1 d . . . . .
H00A H 0.308044 0.221953 0.491624 0.030 Uiso 1 1 calc R U . . .
H00B H 0.199672 0.046890 0.421293 0.030 Uiso 1 1 calc R U . . .
N6 N 0.2139(4) 0.2048(4) 0.3098(4) 0.0225(7) Uani 1 1 d . . . . .
F00D F 0.2057(8) 0.4453(7) 0.8387(8) 0.129(4) Uani 1 1 d . . . . .
C00E C 0.3778(7) 0.7915(6) 0.9655(6) 0.0369(12) Uani 1 1 d . . . . .
C00F C 0.0983(6) 0.2106(7) 0.1224(5) 0.0331(11) Uani 1 1 d . . . . .
H00F H 0.039605 0.182802 0.038343 0.040 Uiso 1 1 calc R U . . .
N00G N 0.2772(7) 0.8249(7) 1.0003(6) 0.0528(14) Uani 1 1 d . . . . .
C00H C 0.1726(10) 0.4996(8) 0.1459(6) 0.0494(16) Uani 1 1 d . . . . .
H00C H 0.070976 0.516282 0.152191 0.074 Uiso 1 1 calc R U . . .
H00D H 0.182969 0.485890 0.058005 0.074 Uiso 1 1 calc R U . . .
H00E H 0.263927 0.590121 0.195280 0.074 Uiso 1 1 calc R U . . .
C00I C 0.5070(8) 0.7502(8) 0.9235(7) 0.0474(14) Uani 1 1 d . . . . .
H00L H 0.462888 0.671488 0.845852 0.071 Uiso 1 1 calc R U . . .
H00M H 0.557573 0.707968 0.988093 0.071 Uiso 1 1 calc R U . . .
H00O H 0.588249 0.843279 0.908179 0.071 Uiso 1 1 calc R U . . .
C00J C 0.5801(7) 0.0112(6) 0.3027(5) 0.0325(11) Uani 1 1 d . . . . .
H00J H 0.619592 -0.058678 0.257698 0.039 Uiso 1 1 calc R U . . .
C00K C 0.1260(6) 0.1125(7) 0.1958(5) 0.0319(11) Uani 1 1 d . . . . .
H00K H 0.091852 0.002104 0.173260 0.038 Uiso 1 1 calc R U . . .
C00L C 0.8448(6) 0.2355(7) 0.3795(6) 0.0360(11) Uani 1 1 d . . . . .
H00G H 0.867434 0.243271 0.295628 0.054 Uiso 1 1 calc R U . . .
H00H H 0.901221 0.172882 0.417443 0.054 Uiso 1 1 calc R U . . .
H00I H 0.882737 0.340175 0.431779 0.054 Uiso 1 1 calc R U . . .
F00M F 0.1921(7) 0.1965(9) 0.8387(6) 0.109(3) Uani 1 1 d . . . . .
C00N C 0.4264(7) -0.0152(6) 0.3138(5) 0.0301(10) Uani 1 1 d . . . . .
H00N H 0.335533 -0.107383 0.277754 0.036 Uiso 1 1 calc R U . . .
F00O F 0.1278(7) 0.3845(8) 0.6330(8) 0.116(3) Uani 1 1 d . . . . .


_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 Ag01 3.2827(6) 2_666 ?
Ag01 C007 2.101(4) . ?
Ag01 C008 2.097(4) 2_666 ?
P002 F004 1.594(4) . ?
P002 F006 1.583(4) . ?
P002 F00A 1.587(4) . ?
P002 F00D 1.556(5) . ?
P002 F00M 1.585(5) . ?
P002 F00O 1.552(5) . ?
N003 C007 1.334(6) . ?
N003 C00J 1.391(7) . ?
N003 C00L 1.461(7) . ?
N005 C007 1.364(6) . ?
N005 C00B 1.448(6) . ?
N005 C00N 1.386(6) . ?
C008 N7 1.348(6) . ?
C008 N6 1.355(6) . ?
N7 C00F 1.384(7) . ?
N7 C00H 1.464(7) . ?
C00B H00A 0.9900 . ?
C00B H00B 0.9900 . ?
C00B N6 1.456(6) . ?
N6 C00K 1.379(6) . ?
C00E N00G 1.141(9) . ?
C00E C00I 1.445(9) . ?
C00F H00F 0.9500 . ?
C00F C00K 1.352(8) . ?
C00H H00C 0.9800 . ?
C00H H00D 0.9800 . ?
C00H H00E 0.9800 . ?
C00I H00L 0.9800 . ?
C00I H00M 0.9800 . ?
C00I H00O 0.9800 . ?
C00J H00J 0.9500 . ?
C00J C00N 1.341(8) . ?
C00K H00K 0.9500 . ?
C00L H00G 0.9800 . ?
C00L H00H 0.9800 . ?
C00L H00I 0.9800 . ?
C00N H00N 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
C007 Ag01 Ag01 99.97(13) . 2_666 ?
C008 Ag01 Ag01 90.79(12) 2_666 2_666 ?
C008 Ag01 C007 168.68(18) 2_666 . ?
F006 P002 F004 178.1(2) . . ?
F006 P002 F00A 90.3(2) . . ?
F006 P002 F00M 89.7(3) . . ?
F00A P002 F004 88.1(3) . . ?
F00D P002 F004 91.0(3) . . ?
F00D P002 F006 90.6(3) . . ?
F00D P002 F00A 178.8(3) . . ?
F00D P002 F00M 92.4(5) . . ?
F00M P002 F004 89.1(4) . . ?
F00M P002 F00A 86.8(4) . . ?
F00O P002 F004 91.9(4) . . ?
F00O P002 F006 89.2(3) . . ?
F00O P002 F00A 90.4(4) . . ?
F00O P002 F00D 90.4(5) . . ?
F00O P002 F00M 177.0(5) . . ?
C007 N003 C00J 111.4(4) . . ?
C007 N003 C00L 125.0(4) . . ?
C00J N003 C00L 123.6(4) . . ?
C007 N005 C00B 124.1(4) . . ?
C007 N005 C00N 110.5(4) . . ?
C00N N005 C00B 124.9(4) . . ?
N003 C007 Ag01 127.7(3) . . ?
N003 C007 N005 104.8(4) . . ?
N005 C007 Ag01 127.2(3) . . ?
N7 C008 Ag01 123.9(3) . 2_666 ?
N7 C008 N6 103.8(4) . . ?
N6 C008 Ag01 131.8(3) . 2_666 ?
C008 N7 C00F 111.7(4) . . ?
C008 N7 C00H 125.5(4) . . ?
C00F N7 C00H 122.8(5) . . ?
N005 C00B H00A 109.6 . . ?
N005 C00B H00B 109.6 . . ?
N005 C00B N6 110.2(4) . . ?
H00A C00B H00B 108.1 . . ?
N6 C00B H00A 109.6 . . ?
N6 C00B H00B 109.6 . . ?
C008 N6 C00B 124.1(4) . . ?
C008 N6 C00K 111.9(4) . . ?
C00K N6 C00B 123.7(4) . . ?
N00G C00E C00I 179.0(7) . . ?
N7 C00F H00F 126.8 . . ?
C00K C00F N7 106.4(4) . . ?
C00K C00F H00F 126.8 . . ?
N7 C00H H00C 109.5 . . ?
N7 C00H H00D 109.5 . . ?
N7 C00H H00E 109.5 . . ?
H00C C00H H00D 109.5 . . ?
H00C C00H H00E 109.5 . . ?
H00D C00H H00E 109.5 . . ?
C00E C00I H00L 109.5 . . ?
C00E C00I H00M 109.5 . . ?
C00E C00I H00O 109.5 . . ?
H00L C00I H00M 109.5 . . ?
H00L C00I H00O 109.5 . . ?
H00M C00I H00O 109.5 . . ?
N003 C00J H00J 126.7 . . ?
C00N C00J N003 106.5(4) . . ?
C00N C00J H00J 126.7 . . ?
N6 C00K H00K 126.9 . . ?
C00F C00K N6 106.2(5) . . ?
C00F C00K H00K 126.9 . . ?
N003 C00L H00G 109.5 . . ?
N003 C00L H00H 109.5 . . ?
N003 C00L H00I 109.5 . . ?
H00G C00L H00H 109.5 . . ?
H00G C00L H00I 109.5 . . ?
H00H C00L H00I 109.5 . . ?
N005 C00N H00N 126.6 . . ?
C00J C00N N005 106.8(4) . . ?
C00J C00N H00N 126.6 . . ?

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
Ag01 C008 N7 C00F -173.1(3) 2_666 . . . ?
Ag01 C008 N7 C00H 8.0(7) 2_666 . . . ?
Ag01 C008 N6 C00B -13.7(7) 2_666 . . . ?
Ag01 C008 N6 C00K 172.8(4) 2_666 . . . ?
N003 C00J C00N N005 -0.3(6) . . . . ?
N005 C00B N6 C008 -95.6(5) . . . . ?
N005 C00B N6 C00K 77.1(5) . . . . ?
C007 N003 C00J C00N -0.2(6) . . . . ?
C007 N005 C00B N6 88.4(5) . . . . ?
C007 N005 C00N C00J 0.7(6) . . . . ?
C008 N7 C00F C00K -0.5(6) . . . . ?
C008 N6 C00K C00F -0.9(6) . . . . ?
N7 C008 N6 C00B 174.0(4) . . . . ?
N7 C008 N6 C00K 0.6(5) . . . . ?
N7 C00F C00K N6 0.8(6) . . . . ?
C00B N005 C007 Ag01 13.2(6) . . . . ?
C00B N005 C007 N003 -173.1(4) . . . . ?
C00B N005 C00N C00J 173.0(4) . . . . ?
C00B N6 C00K C00F -174.4(4) . . . . ?
N6 C008 N7 C00F -0.1(5) . . . . ?
N6 C008 N7 C00H -179.0(5) . . . . ?
C00H N7 C00F C00K 178.5(5) . . . . ?
C00J N003 C007 Ag01 174.2(4) . . . . ?
C00J N003 C007 N005 0.6(5) . . . . ?
C00L N003 C007 Ag01 -7.1(7) . . . . ?
C00L N003 C007 N005 179.2(4) . . . . ?
C00L N003 C00J C00N -178.8(5) . . . . ?
C00N N005 C007 Ag01 -174.5(3) . . . . ?
C00N N005 C007 N003 -0.8(5) . . . . ?
C00N N005 C00B N6 -82.9(5) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 700.704
_oxdiff_exptl_absorpt_empirical_full_min 0.507
####################################################################### 
# 
# 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_b23110105a1132_0m
_database_code_depnum_ccdc_archive 'CCDC 2343004'
loop_
_audit_author_name
_audit_author_address
'zhe chen'
;sun yat sen university
China
;
_audit_update_record             
;
2024-03-25 deposited with the CCDC.	2024-11-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C10 H16 Ag N4), 4(F6 P)'
_chemical_formula_sum            'C40 H64 Ag4 F24 N16 P4'
_chemical_formula_weight         1780.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 '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'
H H 0.0000 0.0000 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   11.2729(13)
_cell_length_b                   21.486(2)
_cell_length_c                   6.9612(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.597(5)
_cell_angle_gamma                90
_cell_volume                     1567.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5930
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      59.181
_cell_measurement_theta_min      4.082
_shelx_estimated_absorpt_T_max   0.794
_shelx_estimated_absorpt_T_min   0.689
_exptl_absorpt_coefficient_mu    8.057
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.4983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1694 before and 0.0941 after correction.
The Ratio of minimum to maximum transmission is 0.6630.
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    1.886
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            7706
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        52.942
_diffrn_reflns_theta_max         52.942
_diffrn_reflns_theta_min         4.083
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_voltage           69.88
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1162
_reflns_number_total             1385
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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         0.938
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.0014(3)
_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   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_reflns         1385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0498
_refine_ls_restrained_S_all      1.145
_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)+(0.0919P)²+2.6239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.1539
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00A(H00D), C00B(H00E)
2.b Idealised Me refined as rotating group:
 C009(H00A,H00B,H00C), C00C(H00F,H00G,H00H)
;
_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 0.500000 0.500000 0.500000 0.0508(4) Uani 1 2 d S . P . .
P002 P 0.500000 0.14366(8) 0.250000 0.0499(6) Uani 1 2 d S T P . .
F003 F 0.3958(4) 0.19620(16) 0.1541(6) 0.0811(12) Uani 1 1 d . . . . .
F004 F 0.5295(5) 0.1446(3) 0.0434(6) 0.0834(13) Uani 1 1 d . . . . .
F005 F 0.3949(4) 0.09201(17) 0.1544(7) 0.0857(12) Uani 1 1 d . . . . .
N006 N 0.2842(5) 0.40161(18) 0.3906(7) 0.0486(11) Uani 1 1 d . . . . .
N7 N 0.4666(5) 0.3569(3) 0.4802(6) 0.0506(12) Uani 1 1 d . . . . .
C008 C 0.4105(6) 0.4135(2) 0.4546(8) 0.0492(12) Uani 1 1 d . . . . .
C009 C 0.1863(5) 0.4494(3) 0.3467(9) 0.0553(14) Uani 1 1 d . . . . .
H00A H 0.226344 0.490621 0.365540 0.083 Uiso 1 1 calc R U . . .
H00B H 0.140432 0.444759 0.441139 0.083 Uiso 1 1 calc R U . . .
H00C H 0.126298 0.445107 0.203811 0.083 Uiso 1 1 calc R U . . .
C00A C 0.2628(6) 0.3387(2) 0.3748(8) 0.0534(14) Uani 1 1 d . . . . .
H00D H 0.182110 0.318624 0.331834 0.064 Uiso 1 1 calc R U . . .
C00B C 0.3767(6) 0.3110(3) 0.4313(8) 0.0560(15) Uani 1 1 d . . . . .
H00E H 0.392115 0.267495 0.436430 0.067 Uiso 1 1 calc R U . . .
C00C C 0.6050(7) 0.3468(3) 0.5504(9) 0.0586(16) Uani 1 1 d . . . . .
H00F H 0.642937 0.378413 0.489056 0.088 Uiso 1 1 calc R U . . .
H00G H 0.621755 0.305344 0.507554 0.088 Uiso 1 1 calc R U . . .
H00H H 0.642567 0.349978 0.701315 0.088 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 C008 2.082(5) 5_666 ?
Ag01 C008 2.082(5) . ?
P002 F003 1.588(4) . ?
P002 F003 1.588(4) 2_655 ?
P002 F004 1.591(3) 2_655 ?
P002 F004 1.591(3) . ?
P002 F005 1.580(4) 2_655 ?
P002 F005 1.581(4) . ?
N006 C008 1.351(7) . ?
N006 C009 1.455(7) . ?
N006 C00A 1.370(6) . ?
N7 C008 1.352(8) . ?
N7 C00B 1.365(8) . ?
N7 C00C 1.469(8) . ?
C009 H00A 0.9800 . ?
C009 H00B 0.9800 . ?
C009 H00C 0.9800 . ?
C00A H00D 0.9500 . ?
C00A C00B 1.336(9) . ?
C00B H00E 0.9500 . ?
C00C H00F 0.9800 . ?
C00C H00G 0.9800 . ?
C00C H00H 0.9800 . ?

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
C008 Ag01 C008 180.0 5_666 . ?
F003 P002 F003 89.4(3) . 2_655 ?
F003 P002 F004 90.2(2) 2_655 . ?
F003 P002 F004 88.8(2) . . ?
F003 P002 F004 90.2(2) . 2_655 ?
F003 P002 F004 88.8(2) 2_655 2_655 ?
F004 P002 F004 178.6(4) 2_655 . ?
F005 P002 F003 89.9(2) 2_655 2_655 ?
F005 P002 F003 179.2(2) 2_655 . ?
F005 P002 F003 179.2(2) . 2_655 ?
F005 P002 F003 89.9(2) . . ?
F005 P002 F004 90.9(3) 2_655 . ?
F005 P002 F004 90.1(2) 2_655 2_655 ?
F005 P002 F004 90.9(3) . 2_655 ?
F005 P002 F004 90.1(2) . . ?
F005 P002 F005 90.8(3) 2_655 . ?
C008 N006 C009 124.1(4) . . ?
C008 N006 C00A 110.3(5) . . ?
C00A N006 C009 125.6(5) . . ?
C008 N7 C00B 110.4(5) . . ?
C008 N7 C00C 124.4(5) . . ?
C00B N7 C00C 125.2(5) . . ?
N006 C008 Ag01 127.8(4) . . ?
N006 C008 N7 105.0(5) . . ?
N7 C008 Ag01 127.3(4) . . ?
N006 C009 H00A 109.5 . . ?
N006 C009 H00B 109.5 . . ?
N006 C009 H00C 109.5 . . ?
H00A C009 H00B 109.5 . . ?
H00A C009 H00C 109.5 . . ?
H00B C009 H00C 109.5 . . ?
N006 C00A H00D 126.5 . . ?
C00B C00A N006 107.1(5) . . ?
C00B C00A H00D 126.5 . . ?
N7 C00B H00E 126.4 . . ?
C00A C00B N7 107.3(5) . . ?
C00A C00B H00E 126.4 . . ?
N7 C00C H00F 109.5 . . ?
N7 C00C H00G 109.5 . . ?
N7 C00C H00H 109.5 . . ?
H00F C00C H00G 109.5 . . ?
H00F C00C H00H 109.5 . . ?
H00G C00C H00H 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N006 C00A C00B N7 -0.3(5) . . . . ?
C008 N006 C00A C00B 0.6(6) . . . . ?
C008 N7 C00B C00A -0.2(5) . . . . ?
C009 N006 C008 Ag01 -1.8(7) . . . . ?
C009 N006 C008 N7 179.0(4) . . . . ?
C009 N006 C00A C00B -179.1(4) . . . . ?
C00A N006 C008 Ag01 178.5(3) . . . . ?
C00A N006 C008 N7 -0.7(5) . . . . ?
C00B N7 C008 Ag01 -178.6(3) . . . . ?
C00B N7 C008 N006 0.5(5) . . . . ?
C00C N7 C008 Ag01 1.2(7) . . . . ?
C00C N7 C008 N006 -179.6(4) . . . . ?
C00C N7 C00B C00A 180.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
