# Supplementary Information (SI) for Materials Horizons.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_sjp-db-pf_auto
_database_code_depnum_ccdc_archive 'CCDC 2264862'
loop_
_audit_author_name
_audit_author_address
'SUBHRA JYOTI PANDA'
;NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH
India
;
_audit_update_record             
;
2024-12-08 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2024-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 Ag2 Cl3 N12, 2(F6 P)'
_chemical_formula_sum            'C24 H21 Ag2 Cl3 F12 N12 P2'
_chemical_formula_weight         1089.56
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N Ag O Cl P F'
_chemical_oxdiff_usercomment     'COLOURLESS BLOCKS'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   8.0608(2)
_cell_length_b                   14.5789(3)
_cell_length_c                   16.1846(4)
_cell_angle_alpha                72.495(2)
_cell_angle_beta                 82.655(2)
_cell_angle_gamma                74.413(2)
_cell_volume                     1744.90(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24580
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      32.7210
_cell_measurement_theta_min      3.6290
_shelx_estimated_absorpt_T_max   0.698
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    1.549
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.52a (Rigaku Oxford Diffraction, 2022)
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    2.074
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Slow evaporation'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.856
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            42398
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.852
_diffrn_reflns_theta_min         3.334
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.8559
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -5.00  53.00   0.50    2.00    --    9.90-112.00-141.00  116
  2  ω    -42.00  33.00   0.50    2.00    --    9.90 -77.00 -30.00  150
  3  ω    -59.00  16.00   0.50    2.00    --    9.90 -19.00   0.00  150
  4  ω    -56.00  13.00   0.50    2.00    --    9.90 -37.00  60.00  138
  5  ω    -42.00  13.00   0.50    2.00    --  -10.68 -77.00  90.00  110
  6  ω    -77.00  -7.00   0.50    2.00    --  -10.68 -37.00 -90.00  140
  7  ω    -42.00  13.00   0.50    2.00    --  -10.68 -77.00 -60.00  110
  8  ω    -42.00  13.00   0.50    2.00    --  -10.68 -77.00-120.00  110
  9  ω    -34.00  21.00   0.50    2.00    --  -10.68  77.00 120.00  110
 10  ω    -22.00  11.00   0.50    2.00    --  -10.68 -77.00-180.00   66
 11  ω     -7.00  26.00   0.50    2.00    --  -10.68  37.00 -30.00   66
 12  ω     -7.00  49.00   0.50    2.00    --  -10.68  37.00-150.00  112
 13  ω    -42.00   9.00   0.50    2.00    --  -10.68 -77.00  30.00  102
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0444280000
_diffrn_orient_matrix_UB_12      0.0370433000
_diffrn_orient_matrix_UB_13      -0.0035729000
_diffrn_orient_matrix_UB_21      0.0171260000
_diffrn_orient_matrix_UB_22      0.0045418000
_diffrn_orient_matrix_UB_23      -0.0449569000
_diffrn_orient_matrix_UB_31      -0.0781031000
_diffrn_orient_matrix_UB_32      0.0370622000
_diffrn_orient_matrix_UB_33      -0.0091317000
_diffrn_oxdiff_digest_frames     
;
018297ebed789b501b24cb2dfd52ad7812000269750
;
_diffrn_oxdiff_digest_hkl        
;
0152f5def107c761567129da963d514149d1da
;
_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                9201
_reflns_number_total             11122
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.51
_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 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.821
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         11122
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0389
_refine_ls_restrained_S_all      1.058
_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)+(0.0111P)²+4.2514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0799
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C12'-C11' = C11A-C12A = C11C-C12C = C3-C1 = C11B-C12B = C11"-C12"
 1.303 with sigma of 0.01
 C3-C10 = C10-C11C
 1.495 with sigma of 0.01
 C11"-C10B = C10B-C11B
 1.495 with sigma of 0.01
 C11A-C10A
 1.495 with sigma of 0.01
 C11'-C10A
 1.495 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(Ag2) = Uanis(Ag2')
Uanis(C11') = Uanis(C11A)
Uanis(C12A) = Uanis(C12')
Uanis(C11C) = Uanis(C3)
Uanis(C12C) = Uanis(C1)
Uanis(C12") = Uanis(C12B)
Uanis(C11") = Uanis(C11B)
Uanis(C12B) = Uanis(C12")
4. Others
 Sof(C11C)=Sof(H11C)=1-FVAR(1)
 Sof(C3)=Sof(H3)=FVAR(1)
 Sof(C1)=Sof(H1A)=Sof(H1B)=1-FVAR(2)
 Sof(C12C)=Sof(H12G)=Sof(H12H)=FVAR(2)
 Sof(Ag2)=1-FVAR(3)
 Sof(Ag2')=FVAR(3)
 Sof(C11A)=Sof(H11A)=1-FVAR(4)
 Sof(C11')=Sof(H11')=FVAR(4)
 Sof(C12A)=Sof(H12A)=Sof(H12B)=1-FVAR(5)
 Sof(C12')=Sof(H12C)=Sof(H12D)=FVAR(5)
 Sof(C11")=Sof(H11")=1-FVAR(6)
 Sof(C11B)=Sof(H11B)=FVAR(6)
 Sof(C12B)=Sof(H12I)=Sof(H12J)=1-FVAR(7)
 Sof(C12")=Sof(H12E)=Sof(H12F)=FVAR(7)
5.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C10A(H10C,H10D), C10B(H10E,H10F)
5.b Aromatic/amide H refined with riding coordinates:
 C11A(H11A), C2(H2), C2A(H2A), C2B(H2B), C8(H8), C8A(H8A), C8B(H8B),
 C11'(H11'), C11"(H11"), C11C(H11C), C3(H3), C11B(H11B)
5.c X=CH2 refined with riding coordinates:
 C12A(H12A,H12B), C12'(H12C,H12D), C12"(H12E,H12F), C12C(H12G,H12H), C1(H1A,
 H1B), C12B(H12I,H12J)
;
_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 0.63203(3) 0.86094(2) 0.56462(2) 0.01745(5) Uani 1 1 d . . . . .
Ag2 Ag 0.40664(6) 0.71877(4) 0.64602(2) 0.01646(9) Uani 0.9241(17) 1 d . . P A
1
Ag2' Ag 0.3579(6) 0.7501(4) 0.6281(3) 0.01646(9) Uani 0.0759(17) 1 d . . P A 2
Cl1 Cl 0.37247(13) 1.06738(6) 0.88835(5) 0.0378(2) Uani 1 1 d . . . . .
Cl1A Cl 0.77404(13) 0.67904(6) 0.22420(5) 0.0363(2) Uani 1 1 d . . . . .
Cl1B Cl 1.24883(8) 0.53208(5) 0.82574(4) 0.02185(13) Uani 1 1 d . . . . .
N1 N 0.5509(3) 1.04330(18) 0.74689(17) 0.0250(5) Uani 1 1 d . . . . .
N1A N 0.8121(3) 0.79151(19) 0.31550(16) 0.0243(5) Uani 1 1 d . . . . .
N1B N 1.1457(3) 0.65734(16) 0.67707(15) 0.0161(4) Uani 1 1 d . . . . .
N3 N 0.5404(3) 0.93086(17) 0.66695(15) 0.0193(5) Uani 1 1 d . . . . .
N3A N 0.6616(3) 0.81150(17) 0.44850(15) 0.0176(4) Uani 1 1 d . . . . .
N3B N 0.8598(3) 0.70606(17) 0.62668(15) 0.0193(5) Uani 1 1 d . . . . .
N7 N 0.2226(3) 0.89865(19) 0.83447(16) 0.0238(5) Uani 1 1 d . . . . .
N7A N 0.4882(3) 0.64215(17) 0.39472(15) 0.0199(5) Uani 1 1 d . . . . .
N7B N 0.8369(3) 0.52644(18) 0.82383(15) 0.0191(5) Uani 1 1 d . . . . .
N9 N 0.3276(3) 0.83455(17) 0.72301(15) 0.0182(4) Uani 1 1 d . . . . .
N9A N 0.4534(3) 0.71220(17) 0.50417(15) 0.0173(4) Uani 1 1 d . . . . .
N9B N 0.6537(3) 0.61962(18) 0.72192(17) 0.0223(5) Uani 1 1 d . . . . .
C11A C 0.2967(10) 0.6570(6) 0.2809(4) 0.0291(13) Uani 0.548(9) 1 d D . P B -1
H11A H 0.189177 0.677087 0.307304 0.035 Uiso 0.548(9) 1 calc R U P B -1
C01B C 0.7247(4) 0.7285(2) 0.31172(18) 0.0224(6) Uani 1 1 d . . . . .
C01C C 0.4281(4) 1.0138(2) 0.80356(19) 0.0229(6) Uani 1 1 d . . . . .
C2 C 0.6016(4) 1.0007(2) 0.6819(2) 0.0226(6) Uani 1 1 d . . . . .
H2 H 0.688298 1.022083 0.643290 0.027 Uiso 1 1 calc R U . . .
C2A C 0.7769(4) 0.8304(2) 0.38257(18) 0.0212(5) Uani 1 1 d . . . . .
H2A H 0.839199 0.875339 0.383453 0.025 Uiso 1 1 calc R U . . .
C2B C 1.0233(3) 0.7095(2) 0.61968(18) 0.0181(5) Uani 1 1 d . . . . .
H2B H 1.057992 0.752826 0.569488 0.022 Uiso 1 1 calc R U . . .
C12A C 0.3152(11) 0.6885(6) 0.1949(4) 0.0409(12) Uani 0.498(6) 1 d D . P B -1
H12A H 0.421393 0.669443 0.166880 0.049 Uiso 0.498(6) 1 calc R U P B -1
H12B H 0.221785 0.729464 0.162833 0.049 Uiso 0.498(6) 1 calc R U P B -1
C4 C 0.4140(3) 0.9030(2) 0.72381(18) 0.0178(5) Uani 1 1 d . . . . .
C4A C 0.5751(3) 0.74654(19) 0.44413(17) 0.0158(5) Uani 1 1 d . . . . .
C4B C 0.8171(3) 0.6405(2) 0.69768(18) 0.0173(5) Uani 1 1 d . . . . .
C5 C 0.3519(4) 0.9442(2) 0.79276(18) 0.0200(5) Uani 1 1 d . . . . .
C5A C 0.5997(4) 0.7037(2) 0.37558(18) 0.0187(5) Uani 1 1 d . . . . .
C5B C 0.9328(3) 0.58176(19) 0.76172(17) 0.0159(5) Uani 1 1 d . . . . .
C8 C 0.2139(4) 0.8351(2) 0.78993(19) 0.0238(6) Uani 1 1 d . . . . .
H8 H 0.135455 0.795428 0.804863 0.029 Uiso 1 1 calc R U . . .
C8A C 0.4055(4) 0.6506(2) 0.47132(18) 0.0192(5) Uani 1 1 d . . . . .
H8A H 0.322430 0.616277 0.498550 0.023 Uiso 1 1 calc R U . . .
C8B C 0.6760(4) 0.5545(2) 0.7933(2) 0.0231(6) Uani 1 1 d . . . . .
H8B H 0.587119 0.526851 0.823817 0.028 Uiso 1 1 calc R U . . .
C10 C 0.1035(4) 0.9225(3) 0.9064(2) 0.0340(8) Uani 1 1 d D . . . .
H10A H 0.168967 0.920129 0.953632 0.041 Uiso 1 1 calc R U . C 1
H10B H 0.035090 0.873858 0.927876 0.041 Uiso 1 1 calc R U . C 1
C010 C 1.0993(3) 0.59472(19) 0.74891(17) 0.0157(5) Uani 1 1 d . . . . .
C10A C 0.4446(4) 0.5889(2) 0.3390(2) 0.0281(7) Uani 1 1 d D . . . .
H10C H 0.409771 0.530078 0.374908 0.034 Uiso 1 1 calc R U . B -1
H10D H 0.545221 0.568290 0.303021 0.034 Uiso 1 1 calc R U . B -1
C10B C 0.8911(4) 0.4539(2) 0.90772(18) 0.0241(6) Uani 1 1 d D . . . .
H10E H 0.970561 0.476363 0.932746 0.029 Uiso 1 1 calc R U . D 1
H10F H 0.950647 0.390389 0.898109 0.029 Uiso 1 1 calc R U . D 1
C11' C 0.3650(11) 0.6593(7) 0.2593(5) 0.0291(13) Uani 0.452(9) 1 d D . P B 1
H11' H 0.427442 0.696051 0.215745 0.035 Uiso 0.452(9) 1 calc R U P B 1
C11" C 0.746(3) 0.414(2) 0.9605(17) 0.0262(14) Uani 0.19(3) 1 d D . P E 2
H11" H 0.663735 0.457200 0.986093 0.031 Uiso 0.19(3) 1 calc R U P E 2
C12' C 0.2022(10) 0.6664(6) 0.2540(5) 0.0409(12) Uani 0.502(6) 1 d D . P B 1
H12C H 0.143319 0.628634 0.298633 0.049 Uiso 0.502(6) 1 calc R U P B 1
H12D H 0.144575 0.709395 0.205462 0.049 Uiso 0.502(6) 1 calc R U P B 1
C12" C 0.725(4) 0.326(2) 0.974(2) 0.0437(19) Uani 0.187(19) 1 d D . P E 2
H12E H 0.804213 0.280492 0.949412 0.052 Uiso 0.187(19) 1 calc R U P E 2
H12F H 0.630491 0.307590 1.007651 0.052 Uiso 0.187(19) 1 calc R U P E 2
P1 P 0.73732(10) 0.74831(6) 0.93568(5) 0.02211(15) Uani 1 1 d . . . . .
F1 F 0.6978(3) 0.65955(18) 1.01490(15) 0.0528(6) Uani 1 1 d . . . . .
F2 F 0.8401(3) 0.77579(16) 1.00025(14) 0.0398(5) Uani 1 1 d . . . . .
F3 F 0.5639(3) 0.8191(2) 0.95981(16) 0.0561(7) Uani 1 1 d . . . . .
F4 F 0.6358(3) 0.71980(15) 0.87265(14) 0.0366(5) Uani 1 1 d . . . . .
F5 F 0.9126(3) 0.6775(2) 0.91161(16) 0.0538(7) Uani 1 1 d . . . . .
F6 F 0.7787(3) 0.83725(19) 0.85833(15) 0.0562(7) Uani 1 1 d . . . . .
P2 P 0.000000 1.000000 0.500000 0.0218(2) Uani 1 2 d S . P . .
F7 F -0.0312(2) 0.92604(13) 0.59285(12) 0.0293(4) Uani 1 1 d . . . . .
F8 F 0.1898(2) 0.99364(15) 0.52475(13) 0.0337(4) Uani 1 1 d . . . . .
F9 F -0.0760(3) 1.09267(13) 0.53930(12) 0.0311(4) Uani 1 1 d . . . . .
P3 P 1.000000 0.500000 0.500000 0.01694(18) Uani 1 2 d S . P . .
F10 F 0.8090(2) 0.54373(14) 0.53470(13) 0.0348(4) Uani 1 1 d . . . . .
F11 F 1.0237(2) 0.61050(13) 0.45964(13) 0.0303(4) Uani 1 1 d . . . . .
F12 F 0.9252(3) 0.50517(15) 0.41139(13) 0.0386(5) Uani 1 1 d . . . . .
C11C C -0.0158(7) 1.0263(4) 0.8749(3) 0.0327(12) Uani 0.734(13) 1 d D . P F 1
H11C H 0.034118 1.079077 0.847638 0.039 Uiso 0.734(13) 1 calc R U P F 1
C12C C -0.1838(6) 1.0444(4) 0.8844(4) 0.0361(11) Uani 0.678(6) 1 d D . P F 1
H12G H -0.236937 0.992961 0.911469 0.043 Uiso 0.678(6) 1 calc R U P F 1
H12H H -0.250350 1.108781 0.864126 0.043 Uiso 0.678(6) 1 calc R U P F 1
C1 C -0.0716(15) 1.0538(8) 0.8029(7) 0.0361(11) Uani 0.322(6) 1 d D . P F 2
H1A H 0.020056 1.046670 0.762255 0.043 Uiso 0.322(6) 1 calc R U P F 2
H1B H -0.173475 1.101555 0.786872 0.043 Uiso 0.322(6) 1 calc R U P F 2
C3 C -0.0572(16) 0.9972(11) 0.8821(8) 0.0327(12) Uani 0.266(13) 1 d D . P F 2
H3 H -0.148545 1.004088 0.922924 0.039 Uiso 0.266(13) 1 calc R U P F 2
C11B C 0.7399(6) 0.4419(7) 0.9690(4) 0.0262(14) Uani 0.81(3) 1 d D . P E 1
H11B H 0.671506 0.497151 0.984555 0.031 Uiso 0.81(3) 1 calc R U P E 1
C12B C 0.6986(8) 0.3565(6) 1.0023(5) 0.0437(19) Uani 0.813(19) 1 d D . P E 1
H12I H 0.765292 0.300242 0.987599 0.052 Uiso 0.813(19) 1 calc R U P E 1
H12J H 0.602689 0.352223 1.040494 0.052 Uiso 0.813(19) 1 calc R U P E 1


_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 Ag2 3.0169(3) . ?
Ag1 Ag2' 2.982(3) . ?
Ag1 N3 2.151(2) . ?
Ag1 N3A 2.172(2) . ?
Ag1 N3B 2.522(2) . ?
Ag2 N1B 2.439(2) 1_455 ?
Ag2 N9 2.300(2) . ?
Ag2 N9A 2.305(2) . ?
Ag2 N9B 2.361(2) . ?
Ag2' N1B 2.374(4) 1_455 ?
Ag2' N9 2.195(4) . ?
Ag2' N9A 2.228(4) . ?
Cl1 C01C 1.731(3) . ?
Cl1A C01B 1.732(3) . ?
Cl1B C010 1.715(3) . ?
N1 C01C 1.328(4) . ?
N1 C2 1.343(4) . ?
N1A C01B 1.318(4) . ?
N1A C2A 1.336(4) . ?
N1B C2B 1.349(4) . ?
N1B C010 1.326(3) . ?
N3 C2 1.337(4) . ?
N3 C4 1.344(4) . ?
N3A C2A 1.336(4) . ?
N3A C4A 1.340(3) . ?
N3B C2B 1.322(4) . ?
N3B C4B 1.330(4) . ?
N7 C5 1.380(4) . ?
N7 C8 1.354(4) . ?
N7 C10 1.476(4) . ?
N7A C5A 1.379(4) . ?
N7A C8A 1.354(4) . ?
N7A C10A 1.479(4) . ?
N7B C5B 1.381(3) . ?
N7B C8B 1.361(4) . ?
N7B C10B 1.481(4) . ?
N9 C4 1.366(4) . ?
N9 C8 1.327(4) . ?
N9A C4A 1.373(3) . ?
N9A C8A 1.328(3) . ?
N9B C4B 1.411(3) . ?
N9B C8B 1.252(4) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.329(7) . ?
C11A C10A 1.542(7) . ?
C11A C11' 0.616(8) . ?
C11A C12' 0.884(9) . ?
C01B C5A 1.385(4) . ?
C01C C5 1.380(4) . ?
C2 H2 0.9300 . ?
C2A H2A 0.9300 . ?
C2B H2B 0.9300 . ?
C12A H12A 0.9300 . ?
C12A H12B 0.9300 . ?
C12A C11' 1.084(10) . ?
C12A C12' 1.263(11) . ?
C4 C5 1.399(4) . ?
C4A C5A 1.398(4) . ?
C4B C5B 1.401(4) . ?
C5B C010 1.386(4) . ?
C8 H8 0.9300 . ?
C8A H8A 0.9300 . ?
C8B H8B 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11C 1.534(6) . ?
C10 C3 1.461(9) . ?
C10A H10C 0.9700 . ?
C10A H10D 0.9700 . ?
C10A C11' 1.479(7) . ?
C10B H10E 0.9700 . ?
C10B H10F 0.9700 . ?
C10B C11" 1.495(10) . ?
C10B C11B 1.483(5) . ?
C11' H11' 0.9300 . ?
C11' C12' 1.300(8) . ?
C11" H11" 0.9300 . ?
C11" C12" 1.299(10) . ?
C12' H12C 0.9300 . ?
C12' H12D 0.9300 . ?
C12" H12E 0.9300 . ?
C12" H12F 0.9300 . ?
P1 F1 1.593(2) . ?
P1 F2 1.610(2) . ?
P1 F3 1.581(2) . ?
P1 F4 1.592(2) . ?
P1 F5 1.591(2) . ?
P1 F6 1.584(2) . ?
P2 F7 1.5995(17) . ?
P2 F7 1.5995(17) 2_576 ?
P2 F8 1.6026(19) 2_576 ?
P2 F8 1.6026(19) . ?
P2 F9 1.6055(18) . ?
P2 F9 1.6055(18) 2_576 ?
P3 F10 1.5996(18) 2_766 ?
P3 F10 1.5997(18) . ?
P3 F11 1.5995(17) 2_766 ?
P3 F11 1.5996(17) . ?
P3 F12 1.5992(18) . ?
P3 F12 1.5992(18) 2_766 ?
C11C H11C 0.9300 . ?
C11C C12C 1.307(6) . ?
C12C H12G 0.9300 . ?
C12C H12H 0.9300 . ?
C1 H1A 0.9300 . ?
C1 H1B 0.9300 . ?
C1 C3 1.299(9) . ?
C3 H3 0.9300 . ?
C11B H11B 0.9300 . ?
C11B C12B 1.313(8) . ?
C12B H12I 0.9300 . ?
C12B H12J 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
N3 Ag1 Ag2 88.35(7) . . ?
N3 Ag1 Ag2' 86.90(9) . . ?
N3 Ag1 N3A 165.52(9) . . ?
N3 Ag1 N3B 106.79(8) . . ?
N3A Ag1 Ag2 88.54(6) . . ?
N3A Ag1 Ag2' 87.48(9) . . ?
N3A Ag1 N3B 86.59(8) . . ?
N3B Ag1 Ag2 80.15(6) . . ?
N3B Ag1 Ag2' 90.47(14) . . ?
N1B Ag2 Ag1 157.71(6) 1_455 . ?
N9 Ag2 Ag1 76.05(6) . . ?
N9 Ag2 N1B 98.22(8) . 1_455 ?
N9 Ag2 N9A 139.45(9) . . ?
N9 Ag2 N9B 97.71(8) . . ?
N9A Ag2 Ag1 75.99(6) . . ?
N9A Ag2 N1B 96.66(8) . 1_455 ?
N9A Ag2 N9B 108.10(8) . . ?
N9B Ag2 Ag1 84.40(7) . . ?
N9B Ag2 N1B 117.85(9) . 1_455 ?
N1B Ag2' Ag1 178.1(2) 1_455 . ?
N9 Ag2' Ag1 78.28(11) . . ?
N9 Ag2' N1B 103.29(15) . 1_455 ?
N9 Ag2' N9A 155.3(2) . . ?
N9A Ag2' Ag1 77.81(11) . . ?
N9A Ag2' N1B 100.74(15) . 1_455 ?
C01C N1 C2 118.0(3) . . ?
C01B N1A C2A 118.2(3) . . ?
C2B N1B Ag2 113.00(17) . 1_655 ?
C2B N1B Ag2' 100.7(2) . 1_655 ?
C010 N1B Ag2 128.36(18) . 1_655 ?
C010 N1B Ag2' 138.8(2) . 1_655 ?
C010 N1B C2B 117.3(2) . . ?
C2 N3 Ag1 125.5(2) . . ?
C2 N3 C4 114.5(2) . . ?
C4 N3 Ag1 119.90(18) . . ?
C2A N3A Ag1 125.50(19) . . ?
C2A N3A C4A 114.3(2) . . ?
C4A N3A Ag1 119.64(18) . . ?
C2B N3B Ag1 119.74(18) . . ?
C2B N3B C4B 114.5(2) . . ?
C4B N3B Ag1 117.99(17) . . ?
C5 N7 C10 127.1(3) . . ?
C8 N7 C5 106.2(2) . . ?
C8 N7 C10 126.3(3) . . ?
C5A N7A C10A 128.3(2) . . ?
C8A N7A C5A 105.9(2) . . ?
C8A N7A C10A 125.2(3) . . ?
C5B N7B C10B 128.7(2) . . ?
C8B N7B C5B 105.3(2) . . ?
C8B N7B C10B 125.9(2) . . ?
C4 N9 Ag2 127.03(18) . . ?
C4 N9 Ag2' 128.0(2) . . ?
C8 N9 Ag2 127.3(2) . . ?
C8 N9 Ag2' 127.8(2) . . ?
C8 N9 C4 104.1(2) . . ?
C4A N9A Ag2 127.48(18) . . ?
C4A N9A Ag2' 128.4(2) . . ?
C8A N9A Ag2 126.08(19) . . ?
C8A N9A Ag2' 127.8(2) . . ?
C8A N9A C4A 103.9(2) . . ?
C4B N9B Ag2 121.5(2) . . ?
C8B N9B Ag2 133.6(2) . . ?
C8B N9B C4B 103.9(2) . . ?
C12A C11A H11A 118.3 . . ?
C12A C11A C10A 123.4(7) . . ?
C10A C11A H11A 118.3 . . ?
C11' C11A H11A 160.2 . . ?
C11' C11A C12A 53.7(10) . . ?
C11' C11A C10A 72.6(10) . . ?
C11' C11A C12' 119.1(13) . . ?
C12' C11A H11A 60.2 . . ?
C12' C11A C12A 66.1(7) . . ?
C12' C11A C10A 151.3(9) . . ?
N1A C01B Cl1A 117.0(2) . . ?
N1A C01B C5A 120.7(3) . . ?
C5A C01B Cl1A 122.3(2) . . ?
N1 C01C Cl1 116.4(2) . . ?
N1 C01C C5 120.1(3) . . ?
C5 C01C Cl1 123.6(2) . . ?
N1 C2 H2 116.6 . . ?
N3 C2 N1 126.8(3) . . ?
N3 C2 H2 116.6 . . ?
N1A C2A N3A 126.8(3) . . ?
N1A C2A H2A 116.6 . . ?
N3A C2A H2A 116.6 . . ?
N1B C2B H2B 116.3 . . ?
N3B C2B N1B 127.4(3) . . ?
N3B C2B H2B 116.3 . . ?
C11A C12A H12A 120.0 . . ?
C11A C12A H12B 120.0 . . ?
H12A C12A H12B 120.0 . . ?
C11' C12A C11A 27.2(4) . . ?
C11' C12A H12A 94.4 . . ?
C11' C12A H12B 144.4 . . ?
C11' C12A C12' 66.7(6) . . ?
C12' C12A C11A 39.8(5) . . ?
C12' C12A H12A 149.2 . . ?
C12' C12A H12B 84.8 . . ?
N3 C4 N9 126.7(2) . . ?
N3 C4 C5 122.4(3) . . ?
N9 C4 C5 110.8(2) . . ?
N3A C4A N9A 126.3(2) . . ?
N3A C4A C5A 123.2(2) . . ?
N9A C4A C5A 110.5(2) . . ?
N3B C4B N9B 127.2(3) . . ?
N3B C4B C5B 123.4(2) . . ?
C5B C4B N9B 109.4(2) . . ?
N7 C5 C01C 136.8(3) . . ?
N7 C5 C4 105.1(2) . . ?
C01C C5 C4 118.0(3) . . ?
N7A C5A C01B 137.5(3) . . ?
N7A C5A C4A 105.6(2) . . ?
C01B C5A C4A 116.8(3) . . ?
N7B C5B C4B 104.8(2) . . ?
N7B C5B C010 138.2(3) . . ?
C010 C5B C4B 116.9(2) . . ?
N7 C8 H8 123.1 . . ?
N9 C8 N7 113.7(3) . . ?
N9 C8 H8 123.1 . . ?
N7A C8A H8A 122.9 . . ?
N9A C8A N7A 114.1(3) . . ?
N9A C8A H8A 122.9 . . ?
N7B C8B H8B 121.7 . . ?
N9B C8B N7B 116.5(3) . . ?
N9B C8B H8B 121.7 . . ?
N7 C10 H10A 109.7 . . ?
N7 C10 H10B 109.7 . . ?
N7 C10 C11C 109.9(3) . . ?
H10A C10 H10B 108.2 . . ?
C11C C10 H10A 109.7 . . ?
C11C C10 H10B 109.7 . . ?
C3 C10 N7 116.4(6) . . ?
N1B C010 Cl1B 118.4(2) . . ?
N1B C010 C5B 120.5(2) . . ?
C5B C010 Cl1B 121.1(2) . . ?
N7A C10A C11A 110.1(4) . . ?
N7A C10A H10C 109.6 . . ?
N7A C10A H10D 109.6 . . ?
N7A C10A C11' 111.0(4) . . ?
C11A C10A H10C 109.6 . . ?
C11A C10A H10D 109.6 . . ?
H10C C10A H10D 108.2 . . ?
C11' C10A C11A 23.4(3) . . ?
C11' C10A H10C 127.2 . . ?
C11' C10A H10D 88.1 . . ?
N7B C10B H10E 109.5 . . ?
N7B C10B H10F 109.5 . . ?
N7B C10B C11" 112.9(12) . . ?
N7B C10B C11B 110.9(3) . . ?
H10E C10B H10F 108.1 . . ?
C11B C10B H10E 109.5 . . ?
C11B C10B H10F 109.5 . . ?
C11A C11' C12A 99.1(11) . . ?
C11A C11' C10A 84.0(10) . . ?
C11A C11' H11' 148.7 . . ?
C11A C11' C12' 36.5(9) . . ?
C12A C11' C10A 161.2(10) . . ?
C12A C11' H11' 62.2 . . ?
C12A C11' C12' 63.2(6) . . ?
C10A C11' H11' 122.1 . . ?
C12' C11' C10A 115.8(7) . . ?
C12' C11' H11' 122.1 . . ?
C10B C11" H11" 117.0 . . ?
C12" C11" C10B 126(2) . . ?
C12" C11" H11" 117.0 . . ?
C11A C12' C12A 74.1(7) . . ?
C11A C12' C11' 24.5(6) . . ?
C11A C12' H12C 98.7 . . ?
C11A C12' H12D 139.4 . . ?
C12A C12' C11' 50.0(6) . . ?
C12A C12' H12C 160.2 . . ?
C12A C12' H12D 72.6 . . ?
C11' C12' H12C 120.0 . . ?
C11' C12' H12D 120.0 . . ?
H12C C12' H12D 120.0 . . ?
C11" C12" H12E 120.0 . . ?
C11" C12" H12F 120.0 . . ?
H12E C12" H12F 120.0 . . ?
F1 P1 F2 88.29(13) . . ?
F3 P1 F1 89.80(15) . . ?
F3 P1 F2 90.71(13) . . ?
F3 P1 F4 89.51(13) . . ?
F3 P1 F5 179.59(15) . . ?
F3 P1 F6 90.18(16) . . ?
F4 P1 F1 91.02(13) . . ?
F4 P1 F2 179.28(12) . . ?
F5 P1 F1 90.35(15) . . ?
F5 P1 F2 88.92(12) . . ?
F5 P1 F4 90.87(12) . . ?
F6 P1 F1 178.71(14) . . ?
F6 P1 F2 90.42(13) . . ?
F6 P1 F4 90.26(13) . . ?
F6 P1 F5 89.67(16) . . ?
F7 P2 F7 180.00(16) 2_576 . ?
F7 P2 F8 89.76(10) 2_576 . ?
F7 P2 F8 90.24(10) . . ?
F7 P2 F8 90.24(10) 2_576 2_576 ?
F7 P2 F8 89.76(10) . 2_576 ?
F7 P2 F9 90.12(9) . 2_576 ?
F7 P2 F9 90.12(9) 2_576 . ?
F7 P2 F9 89.88(9) . . ?
F7 P2 F9 89.88(9) 2_576 2_576 ?
F8 P2 F8 180.00(14) 2_576 . ?
F8 P2 F9 90.03(10) 2_576 . ?
F8 P2 F9 89.97(10) 2_576 2_576 ?
F8 P2 F9 90.03(10) . 2_576 ?
F8 P2 F9 89.97(10) . . ?
F9 P2 F9 180.00(11) 2_576 . ?
F10 P3 F10 180.0 2_766 . ?
F11 P3 F10 89.51(10) 2_766 2_766 ?
F11 P3 F10 89.51(10) . . ?
F11 P3 F10 90.49(10) 2_766 . ?
F11 P3 F10 90.49(10) . 2_766 ?
F11 P3 F11 180.0 2_766 . ?
F12 P3 F10 90.29(11) 2_766 . ?
F12 P3 F10 90.29(11) . 2_766 ?
F12 P3 F10 89.71(11) 2_766 2_766 ?
F12 P3 F10 89.71(11) . . ?
F12 P3 F11 89.82(10) . 2_766 ?
F12 P3 F11 89.82(10) 2_766 . ?
F12 P3 F11 90.18(10) . . ?
F12 P3 F11 90.18(10) 2_766 2_766 ?
F12 P3 F12 180.0 2_766 . ?
C10 C11C H11C 118.3 . . ?
C12C C11C C10 123.4(6) . . ?
C12C C11C H11C 118.3 . . ?
C11C C12C H12G 120.0 . . ?
C11C C12C H12H 120.0 . . ?
H12G C12C H12H 120.0 . . ?
H1A C1 H1B 120.0 . . ?
C3 C1 H1A 120.0 . . ?
C3 C1 H1B 120.0 . . ?
C10 C3 H3 120.3 . . ?
C1 C3 C10 119.5(10) . . ?
C1 C3 H3 120.3 . . ?
C10B C11B H11B 118.6 . . ?
C12B C11B C10B 122.8(6) . . ?
C12B C11B H11B 118.6 . . ?
C11B C12B H12I 120.0 . . ?
C11B C12B H12J 120.0 . . ?
H12I C12B H12J 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
Ag1 N3 C2 N1 -177.6(2) . . . . ?
Ag1 N3 C4 N9 -2.6(4) . . . . ?
Ag1 N3 C4 C5 178.5(2) . . . . ?
Ag1 N3A C2A N1A 171.4(2) . . . . ?
Ag1 N3A C4A N9A 6.1(4) . . . . ?
Ag1 N3A C4A C5A -173.5(2) . . . . ?
Ag1 N3B C2B N1B 146.1(2) . . . . ?
Ag1 N3B C4B N9B 31.7(3) . . . . ?
Ag1 N3B C4B C5B -147.1(2) . . . . ?
Ag2 N1B C2B N3B -167.5(2) 1_655 . . . ?
Ag2 N1B C010 Cl1B -11.0(3) 1_655 . . . ?
Ag2 N1B C010 C5B 168.06(18) 1_655 . . . ?
Ag2 N9 C4 N3 15.3(4) . . . . ?
Ag2 N9 C4 C5 -165.68(18) . . . . ?
Ag2 N9 C8 N7 165.51(19) . . . . ?
Ag2 N9A C4A N3A -17.7(4) . . . . ?
Ag2 N9A C4A C5A 161.95(18) . . . . ?
Ag2 N9A C8A N7A -162.38(18) . . . . ?
Ag2 N9B C4B N3B -9.2(4) . . . . ?
Ag2 N9B C4B C5B 169.75(16) . . . . ?
Ag2 N9B C8B N7B -167.65(19) . . . . ?
Ag2' N1B C2B N3B -163.2(3) 1_655 . . . ?
Ag2' N1B C010 Cl1B -21.6(4) 1_655 . . . ?
Ag2' N1B C010 C5B 157.4(3) 1_655 . . . ?
Ag2' N9 C4 N3 -2.0(5) . . . . ?
Ag2' N9 C4 C5 177.0(3) . . . . ?
Ag2' N9 C8 N7 -177.2(3) . . . . ?
Ag2' N9A C4A N3A -0.3(4) . . . . ?
Ag2' N9A C4A C5A 179.3(3) . . . . ?
Ag2' N9A C8A N7A -179.5(3) . . . . ?
Cl1 C01C C5 N7 1.8(5) . . . . ?
Cl1 C01C C5 C4 -177.0(2) . . . . ?
Cl1A C01B C5A N7A 1.4(5) . . . . ?
Cl1A C01B C5A C4A 178.3(2) . . . . ?
N1 C01C C5 N7 -177.9(3) . . . . ?
N1 C01C C5 C4 3.3(4) . . . . ?
N1A C01B C5A N7A -178.4(3) . . . . ?
N1A C01B C5A C4A -1.6(4) . . . . ?
N3 C4 C5 N7 178.8(3) . . . . ?
N3 C4 C5 C01C -2.1(4) . . . . ?
N3A C4A C5A N7A -179.9(2) . . . . ?
N3A C4A C5A C01B 2.3(4) . . . . ?
N3B C4B C5B N7B 178.8(2) . . . . ?
N3B C4B C5B C010 0.4(4) . . . . ?
N7 C10 C11C C12C 126.6(5) . . . . ?
N7 C10 C3 C1 -15.5(19) . . . . ?
N7A C10A C11' C11A -92.1(14) . . . . ?
N7A C10A C11' C12A 167(3) . . . . ?
N7A C10A C11' C12' -110.6(8) . . . . ?
N7B C5B C010 Cl1B -1.4(5) . . . . ?
N7B C5B C010 N1B 179.6(3) . . . . ?
N7B C10B C11" C12" 107(3) . . . . ?
N7B C10B C11B C12B 120.2(5) . . . . ?
N9 C4 C5 N7 -0.3(3) . . . . ?
N9 C4 C5 C01C 178.9(3) . . . . ?
N9A C4A C5A N7A 0.4(3) . . . . ?
N9A C4A C5A C01B -177.4(2) . . . . ?
N9B C4B C5B N7B -0.1(3) . . . . ?
N9B C4B C5B C010 -178.6(2) . . . . ?
C11A C12A C11' C10A 98(3) . . . . ?
C11A C12A C11' C12' 6.6(14) . . . . ?
C11A C12A C12' C11' -4.7(10) . . . . ?
C11A C10A C11' C12A -101(3) . . . . ?
C11A C10A C11' C12' -18.5(9) . . . . ?
C11A C11' C12' C12A 169(2) . . . . ?
C01B N1A C2A N3A 0.8(5) . . . . ?
C01C N1 C2 N3 0.5(5) . . . . ?
C2 N1 C01C Cl1 177.7(2) . . . . ?
C2 N1 C01C C5 -2.6(4) . . . . ?
C2 N3 C4 N9 179.0(3) . . . . ?
C2 N3 C4 C5 0.1(4) . . . . ?
C2A N1A C01B Cl1A -179.7(2) . . . . ?
C2A N1A C01B C5A 0.1(4) . . . . ?
C2A N3A C4A N9A 178.2(3) . . . . ?
C2A N3A C4A C5A -1.5(4) . . . . ?
C2B N1B C010 Cl1B -176.65(19) . . . . ?
C2B N1B C010 C5B 2.4(4) . . . . ?
C2B N3B C4B N9B -179.2(3) . . . . ?
C2B N3B C4B C5B 2.0(4) . . . . ?
C12A C11A C10A N7A 114.8(7) . . . . ?
C12A C11A C10A C11' 18.0(11) . . . . ?
C12A C11A C11' C10A -161.3(11) . . . . ?
C12A C11A C11' C12' -10(2) . . . . ?
C12A C11A C12' C11' 8.8(18) . . . . ?
C12A C11' C12' C11A -169(2) . . . . ?
C4 N3 C2 N1 0.7(4) . . . . ?
C4 N9 C8 N7 -0.7(3) . . . . ?
C4A N3A C2A N1A -0.1(4) . . . . ?
C4A N9A C8A N7A 0.4(3) . . . . ?
C4B N3B C2B N1B -2.5(4) . . . . ?
C4B N9B C8B N7B 0.5(3) . . . . ?
C4B C5B C010 Cl1B 176.29(19) . . . . ?
C4B C5B C010 N1B -2.7(4) . . . . ?
C5 N7 C8 N9 0.5(4) . . . . ?
C5 N7 C10 C11C 66.2(5) . . . . ?
C5 N7 C10 C3 89.5(9) . . . . ?
C5A N7A C8A N9A -0.1(3) . . . . ?
C5A N7A C10A C11A -86.0(5) . . . . ?
C5A N7A C10A C11' -61.0(5) . . . . ?
C5B N7B C8B N9B -0.6(3) . . . . ?
C5B N7B C10B C11" 175.7(13) . . . . ?
C5B N7B C10B C11B 157.1(5) . . . . ?
C8 N7 C5 C01C -179.1(3) . . . . ?
C8 N7 C5 C4 -0.2(3) . . . . ?
C8 N7 C10 C11C -105.9(4) . . . . ?
C8 N7 C10 C3 -82.5(9) . . . . ?
C8 N9 C4 N3 -178.4(3) . . . . ?
C8 N9 C4 C5 0.6(3) . . . . ?
C8A N7A C5A C01B 176.9(3) . . . . ?
C8A N7A C5A C4A -0.2(3) . . . . ?
C8A N7A C10A C11A 83.8(4) . . . . ?
C8A N7A C10A C11' 108.8(5) . . . . ?
C8A N9A C4A N3A 179.8(3) . . . . ?
C8A N9A C4A C5A -0.5(3) . . . . ?
C8B N7B C5B C4B 0.4(3) . . . . ?
C8B N7B C5B C010 178.3(3) . . . . ?
C8B N7B C10B C11" -2.1(13) . . . . ?
C8B N7B C10B C11B -20.7(6) . . . . ?
C8B N9B C4B N3B -179.1(3) . . . . ?
C8B N9B C4B C5B -0.2(3) . . . . ?
C10 N7 C5 C01C 7.6(6) . . . . ?
C10 N7 C5 C4 -173.5(3) . . . . ?
C10 N7 C8 N9 173.9(3) . . . . ?
C010 N1B C2B N3B 0.3(4) . . . . ?
C10A N7A C5A C01B -11.7(5) . . . . ?
C10A N7A C5A C4A 171.2(3) . . . . ?
C10A N7A C8A N9A -171.9(3) . . . . ?
C10A C11A C12A C11' -21.5(13) . . . . ?
C10A C11A C12A C12' 148.9(11) . . . . ?
C10A C11A C11' C12A 161.3(11) . . . . ?
C10A C11A C11' C12' 151.3(13) . . . . ?
C10A C11A C12' C12A -116.3(18) . . . . ?
C10A C11A C12' C11' -108(3) . . . . ?
C10A C11' C12' C11A 32.0(16) . . . . ?
C10A C11' C12' C12A -159.0(11) . . . . ?
C10B N7B C5B C4B -177.8(3) . . . . ?
C10B N7B C5B C010 0.2(5) . . . . ?
C10B N7B C8B N9B 177.6(3) . . . . ?
C11' C11A C12A C12' 170(2) . . . . ?
C11' C11A C10A N7A 96.8(14) . . . . ?
C11' C11A C12' C12A -8.8(18) . . . . ?
C11' C12A C12' C11A 4.7(10) . . . . ?
C12' C11A C12A C11' -170(2) . . . . ?
C12' C11A C10A N7A -144.1(17) . . . . ?
C12' C11A C10A C11' 119(3) . . . . ?
C12' C11A C11' C12A 10(2) . . . . ?
C12' C11A C11' C10A -151.3(13) . . . . ?
C12' C12A C11' C11A -6.6(14) . . . . ?
C12' C12A C11' C10A 92(3) . . . . ?

# end Validation Reply Form
_olex2_exptl_crystal_mounting_method 'Mounted on the loop'
_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 1.760
_oxdiff_exptl_absorpt_empirical_full_min 0.783
# start Validation Reply Form
_vrf_PLAT910_sjp-db-pf_auto      
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         14 Note  
RESPONSE: These low-angle reflections are probably missing due to the beam stop 
or were affected by unexpected deviations in their intensities for symmetry 
equivalent measurements and omitted during initial data reduction.
;
####################################################################### 
# 
# 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_sjp-me-sb_auto
_database_code_depnum_ccdc_archive 'CCDC 2264864'
loop_
_audit_author_name
_audit_author_address
'SUBHRA JYOTI PANDA'
;NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH
India
;
_audit_update_record             
;
2024-11-20 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2024-11-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C6 H5 Ag Cl N4'
_chemical_formula_sum            'C6 H5 Ag Cl F6 N4 Sb'
_chemical_formula_weight         512.21
_chemical_melting_point          ?
_chemical_oxdiff_formula         ' C H N Ag F Sb O'
_chemical_oxdiff_usercomment     'colourless blockd'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.0279(6)
_cell_length_b                   8.6719(4)
_cell_length_c                   12.8186(6)
_cell_angle_alpha                90
_cell_angle_beta                 108.416(5)
_cell_angle_gamma                90
_cell_volume                     1268.57(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13012
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      33.7470
_cell_measurement_theta_min      3.9790
_shelx_estimated_absorpt_T_max   0.477
_shelx_estimated_absorpt_T_min   0.384
_exptl_absorpt_coefficient_mu    3.947
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.52a (Rigaku Oxford Diffraction, 2022)
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    2.682
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Slow evaporation'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16986
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.868
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.550
_diffrn_reflns_theta_min         3.661
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9966
_diffrn_measured_fraction_theta_max 0.8694
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  60.00   0.50    2.50    --   11.92-120.00-123.00  116
  2  ω     22.00  80.00   0.50    2.50    --   11.92-155.00  80.00  116
  3  ω    -54.00  15.00   0.50    2.50    --   11.92 -37.00 -90.00  138
  4  ω    -54.00  15.00   0.50    2.50    --   11.92 -37.00-180.00  138
  5  ω    -36.00  21.00   0.50    2.50    --  -12.70  77.00  60.00  114
  6  ω    -31.00  12.00   0.50    2.50    --  -12.70  77.00 -90.00   86
  7  ω    -40.00  10.00   0.50    2.50    --  -12.70 -77.00  60.00  100
  8  ω    -42.00 -16.00   0.50    2.50    --  -12.70 -77.00-120.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0395588000
_diffrn_orient_matrix_UB_12      0.0630073000
_diffrn_orient_matrix_UB_13      0.0089945000
_diffrn_orient_matrix_UB_21      -0.0077009000
_diffrn_orient_matrix_UB_22      0.0031049000
_diffrn_orient_matrix_UB_23      -0.0571411000
_diffrn_orient_matrix_UB_31      -0.0472825000
_diffrn_orient_matrix_UB_32      0.0521280000
_diffrn_orient_matrix_UB_33      -0.0073775000
_diffrn_oxdiff_digest_frames     
;
0193af7c3e7890bfc47234b090c6d0679900026aa0f
;
_diffrn_oxdiff_digest_hkl        
;
011f9f9909e3b5aa42a916cedcfb24e0041fd8
;
_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                3952
_reflns_number_total             4338
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.442
_refine_diff_density_min         -1.699
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         4338
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0383
_refine_ls_restrained_S_all      1.098
_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)+(0.0372P)²+6.5141P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0969
_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. Uiso/Uaniso restraints and constraints
Uanis(Ag1A) = Uanis(Ag1)
3. Others
 Sof(Ag1)=1-FVAR(1)
 Sof(Ag1A)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C8(H8)
4.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_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
SbBB Sb 0.30049(2) 1.05577(3) 0.67389(2) 0.01556(7) Uani 1 1 d . . . . .
Ag1 Ag 0.09338(5) 0.45109(17) 0.60315(5) 0.01521(16) Uani 0.946(6) 1 d . . P A
2
Cl1 Cl 0.33526(9) 0.96586(12) 0.30843(8) 0.02140(19) Uani 1 1 d . . . . .
N3 N 0.0482(3) 0.6884(4) 0.3690(3) 0.0163(6) Uani 1 1 d . . . . .
N7 N 0.3532(3) 0.6785(4) 0.4869(2) 0.0145(5) Uani 1 1 d . . . . .
N9 N 0.1990(3) 0.5580(3) 0.5128(2) 0.0121(5) Uani 1 1 d . . . . .
N1 N 0.1192(3) 0.8816(4) 0.2728(3) 0.0206(6) Uani 1 1 d . . . . .
C10 C 0.4760(3) 0.7192(5) 0.5036(3) 0.0202(7) Uani 1 1 d . . . . .
H10A H 0.492985 0.707913 0.434061 0.030 Uiso 1 1 calc R U . . .
H10B H 0.527235 0.650704 0.558924 0.030 Uiso 1 1 calc R U . . .
H10C H 0.489742 0.826300 0.528825 0.030 Uiso 1 1 calc R U . . .
C2 C 0.0338(3) 0.7977(5) 0.2922(4) 0.0229(8) Uani 1 1 d . . . . .
H2 H -0.044189 0.818044 0.247165 0.028 Uiso 1 1 calc R U . . .
C6 C 0.2293(3) 0.8542(4) 0.3331(3) 0.0158(6) Uani 1 1 d . . . . .
C4 C 0.1598(3) 0.6624(4) 0.4296(3) 0.0120(6) Uani 1 1 d . . . . .
C5 C 0.2543(3) 0.7407(4) 0.4126(3) 0.0127(6) Uani 1 1 d . . . . .
C8 C 0.3156(3) 0.5709(4) 0.5438(3) 0.0135(6) Uani 1 1 d . . . . .
H8 H 0.366930 0.510248 0.600506 0.016 Uiso 1 1 calc R U . . .
F1 F 0.3570(3) 1.0229(3) 0.5559(2) 0.0274(6) Uani 1 1 d . . . . .
F2 F 0.2461(3) 1.0887(4) 0.7942(3) 0.0371(7) Uani 1 1 d . . . . .
F3 F 0.2303(3) 0.8635(4) 0.6520(3) 0.0464(9) Uani 1 1 d . . . . .
F4 F 0.4368(3) 0.9733(5) 0.7704(3) 0.0523(10) Uani 1 1 d . . . . .
Ag1A Ag 0.0835(8) 0.494(2) 0.6131(8) 0.01521(16) Uani 0.054(6) 1 d . . P A 1
F5A F 0.3720(5) 1.2487(4) 0.6939(4) 0.0709(15) Uani 1 1 d . . . . .
F6A F 0.1652(4) 1.1453(6) 0.5806(4) 0.0711(14) 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
SbBB F1 1.866(3) . ?
SbBB F2 1.878(3) . ?
SbBB F3 1.850(3) . ?
SbBB F4 1.857(3) . ?
SbBB F5A 1.862(3) . ?
SbBB F6A 1.858(4) . ?
Ag1 Ag1 3.0011(10) 3_566 ?
Ag1 N3 2.208(3) 3_566 ?
Ag1 N9 2.178(3) . ?
Ag1 N1 2.550(4) 4_576 ?
Cl1 C6 1.708(4) . ?
N3 C2 1.338(5) . ?
N3 C4 1.340(5) . ?
N3 Ag1A 2.302(10) 3_566 ?
N7 C10 1.467(4) . ?
N7 C5 1.377(5) . ?
N7 C8 1.347(4) . ?
N9 C4 1.364(4) . ?
N9 C8 1.336(4) . ?
N9 Ag1A 2.239(9) . ?
N1 C2 1.344(5) . ?
N1 C6 1.327(5) . ?
N1 Ag1A 2.232(17) 4_575 ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C2 H2 0.9500 . ?
C6 C5 1.380(5) . ?
C4 C5 1.399(4) . ?
C8 H8 0.9500 . ?
Ag1A Ag1A 2.961(17) 3_566 ?

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
F1 SbBB F2 179.08(15) . . ?
F3 SbBB F1 90.30(13) . . ?
F3 SbBB F2 90.04(14) . . ?
F3 SbBB F4 91.1(2) . . ?
F3 SbBB F5A 179.03(15) . . ?
F3 SbBB F6A 90.8(2) . . ?
F4 SbBB F1 90.58(15) . . ?
F4 SbBB F2 88.56(16) . . ?
F4 SbBB F5A 89.0(2) . . ?
F4 SbBB F6A 177.8(2) . . ?
F5A SbBB F1 88.73(13) . . ?
F5A SbBB F2 90.93(15) . . ?
F6A SbBB F1 90.65(16) . . ?
F6A SbBB F2 90.20(17) . . ?
F6A SbBB F5A 89.2(3) . . ?
N3 Ag1 Ag1 84.05(8) 3_566 3_566 ?
N3 Ag1 N1 93.81(12) 3_566 4_576 ?
N9 Ag1 Ag1 79.09(8) . 3_566 ?
N9 Ag1 N3 158.16(13) . 3_566 ?
N9 Ag1 N1 106.08(12) . 4_576 ?
N1 Ag1 Ag1 116.49(12) 4_576 3_566 ?
C2 N3 Ag1 125.5(3) . 3_566 ?
C2 N3 C4 114.8(3) . . ?
C2 N3 Ag1A 128.9(4) . 3_566 ?
C4 N3 Ag1 119.8(2) . 3_566 ?
C4 N3 Ag1A 114.9(4) . 3_566 ?
C5 N7 C10 128.0(3) . . ?
C8 N7 C10 125.6(3) . . ?
C8 N7 C5 106.3(3) . . ?
C4 N9 Ag1 125.6(2) . . ?
C4 N9 Ag1A 119.3(4) . . ?
C8 N9 Ag1 127.6(2) . . ?
C8 N9 C4 104.4(3) . . ?
C8 N9 Ag1A 129.2(3) . . ?
C2 N1 Ag1 124.9(3) . 4_575 ?
C2 N1 Ag1A 119.6(5) . 4_575 ?
C6 N1 Ag1 115.4(2) . 4_575 ?
C6 N1 C2 118.4(3) . . ?
C6 N1 Ag1A 119.2(4) . 4_575 ?
Ag1A N1 Ag1 6.7(4) 4_575 4_575 ?
N7 C10 H10A 109.5 . . ?
N7 C10 H10B 109.5 . . ?
N7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C2 N1 126.2(4) . . ?
N3 C2 H2 116.9 . . ?
N1 C2 H2 116.9 . . ?
N1 C6 Cl1 117.1(3) . . ?
N1 C6 C5 120.2(3) . . ?
C5 C6 Cl1 122.7(3) . . ?
N3 C4 N9 126.9(3) . . ?
N3 C4 C5 122.8(3) . . ?
N9 C4 C5 110.3(3) . . ?
N7 C5 C6 136.8(3) . . ?
N7 C5 C4 105.6(3) . . ?
C6 C5 C4 117.6(3) . . ?
N7 C8 H8 123.3 . . ?
N9 C8 N7 113.4(3) . . ?
N9 C8 H8 123.3 . . ?
N3 Ag1A Ag1A 81.1(4) 3_566 3_566 ?
N9 Ag1A N3 143.0(9) . 3_566 ?
N9 Ag1A Ag1A 77.4(4) . 3_566 ?
N1 Ag1A N3 100.3(4) 4_576 3_566 ?
N1 Ag1A N9 115.7(5) 4_576 . ?
N1 Ag1A Ag1A 139.1(12) 4_576 3_566 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N3 C2 N1 -178.6(3) 3_566 . . . ?
Ag1 N3 C4 N9 -2.0(5) 3_566 . . . ?
Ag1 N3 C4 C5 176.5(3) 3_566 . . . ?
Ag1 N9 C4 N3 -18.9(5) . . . . ?
Ag1 N9 C4 C5 162.4(2) . . . . ?
Ag1 N9 C8 N7 -162.2(2) . . . . ?
Ag1 N1 C2 N3 167.1(3) 4_575 . . . ?
Ag1 N1 C6 Cl1 14.2(4) 4_575 . . . ?
Ag1 N1 C6 C5 -166.5(3) 4_575 . . . ?
Cl1 C6 C5 N7 -2.4(6) . . . . ?
Cl1 C6 C5 C4 176.5(3) . . . . ?
N3 C4 C5 N7 -177.6(3) . . . . ?
N3 C4 C5 C6 3.1(5) . . . . ?
N9 C4 C5 N7 1.1(4) . . . . ?
N9 C4 C5 C6 -178.1(3) . . . . ?
N1 C6 C5 N7 178.3(4) . . . . ?
N1 C6 C5 C4 -2.8(5) . . . . ?
C10 N7 C5 C6 -1.1(7) . . . . ?
C10 N7 C5 C4 179.9(3) . . . . ?
C10 N7 C8 N9 179.3(3) . . . . ?
C2 N3 C4 N9 -179.9(4) . . . . ?
C2 N3 C4 C5 -1.4(5) . . . . ?
C2 N1 C6 Cl1 -178.5(3) . . . . ?
C2 N1 C6 C5 0.8(6) . . . . ?
C6 N1 C2 N3 1.1(7) . . . . ?
C4 N3 C2 N1 -0.8(6) . . . . ?
C4 N9 C8 N7 0.9(4) . . . . ?
C5 N7 C8 N9 -0.2(4) . . . . ?
C8 N7 C5 C6 178.5(4) . . . . ?
C8 N7 C5 C4 -0.5(4) . . . . ?
C8 N9 C4 N3 177.5(4) . . . . ?
C8 N9 C4 C5 -1.3(4) . . . . ?
Ag1A N3 C2 N1 -166.1(7) 3_566 . . . ?
Ag1A N3 C4 N9 -12.5(7) 3_566 . . . ?
Ag1A N3 C4 C5 166.0(6) 3_566 . . . ?
Ag1A N9 C4 N3 -29.4(7) . . . . ?
Ag1A N9 C4 C5 151.9(6) . . . . ?
Ag1A N9 C8 N7 -148.5(7) . . . . ?
Ag1A N1 C2 N3 162.1(5) 4_575 . . . ?
Ag1A N1 C6 Cl1 20.4(6) 4_575 . . . ?
Ag1A N1 C6 C5 -160.3(5) 4_575 . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted on the loop'
_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 1.353
_oxdiff_exptl_absorpt_empirical_full_min 0.669
####################################################################### 
# 
# 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_sjp-pf-me_auto
_database_code_depnum_ccdc_archive 'CCDC 2264865'
loop_
_audit_author_name
_audit_author_address
'SUBHRA JYOTI PANDA'
;NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH
India
;
_audit_update_record             
;
2024-12-08 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2024-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C6 H5 Ag Cl N4, F0.813 P0.102, F5.187 P0.898'
_chemical_formula_sum            'C6 H5 Ag Cl F6 N4 P'
_chemical_formula_weight         421.43
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N Ag O Cl P F'
_chemical_oxdiff_usercomment     'COLOURLESS BLOCKS'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.9676(6)
_cell_length_b                   8.4366(4)
_cell_length_c                   12.5599(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.484(5)
_cell_angle_gamma                90
_cell_volume                     1202.70(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10997
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      33.5380
_cell_measurement_theta_min      3.7120
_shelx_estimated_absorpt_T_max   0.612
_shelx_estimated_absorpt_T_min   0.572
_exptl_absorpt_coefficient_mu    2.098
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.52a (Rigaku Oxford Diffraction, 2022)
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    2.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Slow evaporation'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16396
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.868
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.617
_diffrn_reflns_theta_min         3.321
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9972
_diffrn_measured_fraction_theta_max 0.8700
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  57.00   0.50    1.00    --   11.92-116.00 -67.00  116
  2  ω     28.00  81.00   0.50    1.00    --   11.92-164.00 143.00  106
  3  ω      9.00  78.00   0.50    1.00    --   11.92  37.00-150.00  138
  4  ω      6.00  81.00   0.50    1.00    --   11.92  19.00  30.00  150
  5  ω      7.00  45.00   0.50    1.00    --   11.92 -99.00-180.00   76
  6  ω    -79.00 -18.00   0.50    1.00    --  -12.70 -37.00   0.00  122
  7  ω    -41.00   2.00   0.50    1.00    --  -12.70 -77.00 -90.00   86
  8  ω    -18.00  11.00   0.50    1.00    --  -12.70 -77.00 120.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0374534000
_diffrn_orient_matrix_UB_12      -0.0227388000
_diffrn_orient_matrix_UB_13      -0.0538233000
_diffrn_orient_matrix_UB_21      -0.0181360000
_diffrn_orient_matrix_UB_22      -0.0675538000
_diffrn_orient_matrix_UB_23      0.0239158000
_diffrn_orient_matrix_UB_31      -0.0466574000
_diffrn_orient_matrix_UB_32      0.0446012000
_diffrn_orient_matrix_UB_33      0.0085981000
_diffrn_oxdiff_ac3_digest_hkl    01e872d6633750136623abb31031a54fc43366
_diffrn_oxdiff_digest_frames     
;
012f2d0bf9d521bc0acbe79ebef797943b00027c987
;
_diffrn_oxdiff_digest_hkl        
;
01e872d6633750136623abb31031a54fc43366
;
_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                3631
_reflns_number_total             4141
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.584
_refine_diff_density_min         -1.685
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         4141
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.070
_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)+(0.0327P)²+1.8161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0817
_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. Restrained distances
 P1B-F3B
 1.59 with sigma of 0.01
 P1B-F1B
 1.59 with sigma of 0.01
 P1B-F2B
 1.59 with sigma of 0.01
 P1B-F5B
 1.59 with sigma of 0.01
 P1B-F4
 1.59 with sigma of 0.01
 P1B-F6B
 1.59 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(F3B) = Uanis(F3A)
Uanis(F5B) = Uanis(F5A)
Uanis(F6B) = Uanis(F6A)
Uanis(F2B) = Uanis(F2A)
Uanis(F1B) = Uanis(F1A)
Uanis(P1B) = Uanis(P1A)
4. Others
 Sof(P1B)=Sof(F1B)=Sof(F2B)=Sof(F3B)=Sof(F5B)=Sof(F6B)=1-FVAR(1)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F5A)=Sof(F6A)=Sof(P1A)=FVAR(1)
 Sof(F4)=1-FVAR(2)
 Sof(F4A)=FVAR(2)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C8(H8)
5.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_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
Cl1 Cl 0.33696(6) 0.98338(8) 0.30930(5) 0.02375(14) Uani 1 1 d . . . . .
N1 N 0.1191(2) 0.9022(3) 0.2768(2) 0.0246(5) Uani 1 1 d . . . . .
N3 N 0.04814(19) 0.7032(3) 0.37431(18) 0.0200(4) Uani 1 1 d . . . . .
N7 N 0.35549(17) 0.6821(3) 0.48648(16) 0.0159(4) Uani 1 1 d . . . . .
N9 N 0.20065(18) 0.5587(2) 0.51336(16) 0.0141(4) Uani 1 1 d . . . . .
C2 C 0.0337(2) 0.8192(4) 0.2986(3) 0.0288(6) Uani 1 1 d . . . . .
H2 H -0.043436 0.844742 0.257076 0.035 Uiso 1 1 calc R U . . .
C4 C 0.1606(2) 0.6704(3) 0.43128(18) 0.0137(4) Uani 1 1 d . . . . .
C5 C 0.2556(2) 0.7498(3) 0.41359(18) 0.0136(4) Uani 1 1 d . . . . .
C6 C 0.2304(2) 0.8698(3) 0.3349(2) 0.0173(4) Uani 1 1 d . . . . .
C8 C 0.3179(2) 0.5712(3) 0.5432(2) 0.0182(5) Uani 1 1 d . . . . .
H8 H 0.368823 0.508337 0.598386 0.022 Uiso 1 1 calc R U . . .
C10 C 0.4788(2) 0.7247(4) 0.5022(2) 0.0230(5) Uani 1 1 d . . . . .
H10A H 0.494809 0.712429 0.432449 0.034 Uiso 1 1 calc R U . . .
H10B H 0.529984 0.656596 0.557801 0.034 Uiso 1 1 calc R U . . .
H10C H 0.492128 0.832873 0.526654 0.034 Uiso 1 1 calc R U . . .
Ag1A Ag -0.09517(2) 0.56355(2) 0.40114(2) 0.01811(6) Uani 1 1 d . . . . .
P1B P 0.2976(19) 0.447(3) 0.176(3) 0.0154(2) Uani 0.102(7) 1 d D . P A 2
F1A F 0.3537(3) 0.4799(9) 0.0751(4) 0.0276(8) Uani 0.898(7) 1 d . . P A 1
F2A F 0.2429(6) 0.6177(5) 0.1575(4) 0.0443(9) Uani 0.898(7) 1 d . . P A 1
F3A F 0.4229(2) 0.5393(5) 0.2596(2) 0.0479(9) Uani 0.898(7) 1 d . . P A 1
F4A F 0.3852(8) 0.2937(13) 0.2092(9) 0.037(2) Uani 0.70(4) 1 d . . P A 1
F5A F 0.1942(3) 0.3632(5) 0.1036(2) 0.0592(11) Uani 0.898(7) 1 d . . P A 1
F6A F 0.2660(5) 0.4223(8) 0.2874(4) 0.0355(9) Uani 0.898(7) 1 d . . P A 1
P1A P 0.30902(19) 0.4530(3) 0.1803(3) 0.0154(2) Uani 0.898(7) 1 d . . P A 1
F1B F 0.330(4) 0.482(9) 0.065(4) 0.0276(8) Uani 0.102(7) 1 d D . P A 2
F2B F 0.230(6) 0.609(5) 0.175(5) 0.0443(9) Uani 0.102(7) 1 d D . P A 2
F3B F 0.4297(18) 0.455(4) 0.255(2) 0.0479(9) Uani 0.102(7) 1 d D . P A 2
F5B F 0.1708(18) 0.463(4) 0.086(2) 0.0592(11) Uani 0.102(7) 1 d D . P A 2
F6B F 0.247(6) 0.443(8) 0.278(4) 0.0355(9) Uani 0.102(7) 1 d D . P A 2
F4 F 0.342(5) 0.2701(17) 0.177(3) 0.066(8) Uani 0.30(4) 1 d D . P A 2


_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
Cl1 C6 1.706(2) . ?
N1 C2 1.338(4) . ?
N1 C6 1.328(3) . ?
N1 Ag1A 2.553(2) 2 ?
N3 C2 1.337(3) . ?
N3 C4 1.338(3) . ?
N3 Ag1A 2.193(2) . ?
N7 C5 1.378(3) . ?
N7 C8 1.337(3) . ?
N7 C10 1.470(3) . ?
N9 C4 1.367(3) . ?
N9 C8 1.337(3) . ?
N9 Ag1A 2.161(2) 3_566 ?
C2 H2 0.9300 . ?
C4 C5 1.397(3) . ?
C5 C6 1.379(3) . ?
C8 H8 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
Ag1A Ag1A 2.9864(4) 3_566 ?
P1B F1B 1.588(10) . ?
P1B F2B 1.587(10) . ?
P1B F3B 1.578(10) . ?
P1B F5B 1.582(10) . ?
P1B F6B 1.589(10) . ?
P1B F4 1.585(10) . ?
F1A P1A 1.591(2) . ?
F2A P1A 1.579(3) . ?
F3A P1A 1.588(3) . ?
F4A P1A 1.601(5) . ?
F5A P1A 1.597(3) . ?
F6A P1A 1.607(2) . ?

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
C2 N1 Ag1A 125.28(18) . 2 ?
C6 N1 C2 118.5(2) . . ?
C6 N1 Ag1A 113.96(16) . 2 ?
C2 N3 C4 114.4(2) . . ?
C2 N3 Ag1A 124.83(18) . . ?
C4 N3 Ag1A 120.68(16) . . ?
C5 N7 C10 127.6(2) . . ?
C8 N7 C5 106.07(19) . . ?
C8 N7 C10 126.3(2) . . ?
C4 N9 Ag1A 125.72(16) . 3_566 ?
C8 N9 C4 104.0(2) . . ?
C8 N9 Ag1A 128.69(16) . 3_566 ?
N1 C2 H2 116.8 . . ?
N3 C2 N1 126.5(2) . . ?
N3 C2 H2 116.8 . . ?
N3 C4 N9 126.8(2) . . ?
N3 C4 C5 123.2(2) . . ?
N9 C4 C5 110.1(2) . . ?
N7 C5 C4 105.9(2) . . ?
N7 C5 C6 136.6(2) . . ?
C6 C5 C4 117.5(2) . . ?
N1 C6 Cl1 117.36(19) . . ?
N1 C6 C5 119.9(2) . . ?
C5 C6 Cl1 122.70(19) . . ?
N7 C8 N9 114.0(2) . . ?
N7 C8 H8 123.0 . . ?
N9 C8 H8 123.0 . . ?
N7 C10 H10A 109.5 . . ?
N7 C10 H10B 109.5 . . ?
N7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 Ag1A Ag1A 112.38(6) 2_545 3_566 ?
N3 Ag1A N1 91.61(8) . 2_545 ?
N3 Ag1A Ag1A 83.87(5) . 3_566 ?
N9 Ag1A N1 105.03(8) 3_566 2_545 ?
N9 Ag1A N3 160.26(8) 3_566 . ?
N9 Ag1A Ag1A 80.05(5) 3_566 3_566 ?
F1B P1B F6B 168(3) . . ?
F2B P1B F1B 96(3) . . ?
F2B P1B F6B 73(3) . . ?
F3B P1B F1B 94(3) . . ?
F3B P1B F2B 112(3) . . ?
F3B P1B F5B 171(3) . . ?
F3B P1B F6B 93(3) . . ?
F3B P1B F4 77(2) . . ?
F5B P1B F1B 79(2) . . ?
F5B P1B F2B 63(3) . . ?
F5B P1B F6B 93(3) . . ?
F5B P1B F4 109(3) . . ?
F4 P1B F1B 90(3) . . ?
F4 P1B F2B 169(4) . . ?
F4 P1B F6B 101(3) . . ?
F1A P1A F4A 89.5(4) . . ?
F1A P1A F5A 91.1(3) . . ?
F1A P1A F6A 178.6(3) . . ?
F2A P1A F1A 90.3(3) . . ?
F2A P1A F3A 89.5(3) . . ?
F2A P1A F4A 175.4(6) . . ?
F2A P1A F5A 91.3(3) . . ?
F2A P1A F6A 91.1(3) . . ?
F3A P1A F1A 90.5(3) . . ?
F3A P1A F4A 85.9(6) . . ?
F3A P1A F5A 178.3(3) . . ?
F3A P1A F6A 89.3(3) . . ?
F4A P1A F6A 89.1(4) . . ?
F5A P1A F4A 93.3(5) . . ?
F5A P1A F6A 89.2(3) . . ?

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
N3 C4 C5 N7 -179.4(2) . . . . ?
N3 C4 C5 C6 1.4(4) . . . . ?
N7 C5 C6 Cl1 -2.1(4) . . . . ?
N7 C5 C6 N1 179.0(3) . . . . ?
N9 C4 C5 N7 0.7(3) . . . . ?
N9 C4 C5 C6 -178.4(2) . . . . ?
C2 N1 C6 Cl1 -177.3(2) . . . . ?
C2 N1 C6 C5 1.8(4) . . . . ?
C2 N3 C4 N9 179.7(3) . . . . ?
C2 N3 C4 C5 -0.1(4) . . . . ?
C4 N3 C2 N1 -0.4(5) . . . . ?
C4 N9 C8 N7 0.0(3) . . . . ?
C4 C5 C6 Cl1 176.76(18) . . . . ?
C4 C5 C6 N1 -2.2(4) . . . . ?
C5 N7 C8 N9 0.4(3) . . . . ?
C6 N1 C2 N3 -0.4(5) . . . . ?
C8 N7 C5 C4 -0.7(3) . . . . ?
C8 N7 C5 C6 178.2(3) . . . . ?
C8 N9 C4 N3 179.7(2) . . . . ?
C8 N9 C4 C5 -0.5(3) . . . . ?
C10 N7 C5 C4 -179.1(2) . . . . ?
C10 N7 C5 C6 -0.1(5) . . . . ?
C10 N7 C8 N9 178.8(2) . . . . ?
Ag1A N1 C2 N3 161.4(2) 2 . . . ?
Ag1A N1 C6 Cl1 18.9(3) 2 . . . ?
Ag1A N1 C6 C5 -162.08(18) 2 . . . ?
Ag1A N3 C2 N1 -177.0(3) . . . . ?
Ag1A N3 C4 N9 -3.6(3) . . . . ?
Ag1A N3 C4 C5 176.63(17) . . . . ?
Ag1A N9 C4 N3 -13.5(3) 3_566 . . . ?
Ag1A N9 C4 C5 166.31(15) 3_566 . . . ?
Ag1A N9 C8 N7 -166.21(16) 3_566 . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted on the loop'
_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 1.321
_oxdiff_exptl_absorpt_empirical_full_min 0.718
####################################################################### 
# 
# 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_sjp-db-as
_database_code_depnum_ccdc_archive 'CCDC 2264863'
loop_
_audit_author_name
_audit_author_address
'SUBHRA JYOTI PANDA'
;NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH
India
;
_audit_update_record             
;
2024-11-20 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2024-11-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 Ag2 Cl3 N12, 2(F6 Sb)'
_chemical_formula_sum            'C24 H21 Ag2 Cl3 F12 N12 Sb2'
_chemical_formula_weight         1271.12
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C92 H60 Ag16 Cl12 F48 N52 '
_chemical_oxdiff_usercomment     'COLOURLESS NEEDLES'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.2142(6)
_cell_length_b                   17.5601(5)
_cell_length_c                   13.5028(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.381(4)
_cell_angle_gamma                90
_cell_volume                     3688.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17786
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      31.7890
_cell_measurement_theta_min      3.4970
_shelx_estimated_absorpt_T_max   0.617
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    2.813
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
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    2.289
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2416
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Slow diffusion'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            43825
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.790
_diffrn_reflns_theta_min         3.260
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9970
_diffrn_measured_fraction_theta_max 0.8341
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      7.00  53.00   0.50   15.00    --    7.32-117.00  24.00   92
  2  ω     51.00  77.00   0.50   15.00    --    7.32-161.00-126.00   52
  3  ω    -15.00  18.00   0.50   15.00    --    7.32 -99.00-180.00   66
  4  ω    -38.00   7.00   0.50   15.00    --    7.32 -37.00 -60.00   90
  5  ω    -29.00  20.00   0.50   15.00    --   -7.95  77.00 -90.00   98
  6  ω    -41.00  15.00   0.50   15.00    --   -7.95 -77.00 150.00  112
  7  ω    -32.00  15.00   0.50   15.00    --   -7.95 -77.00-120.00   94
  8  ω    -73.00 -47.00   0.50   15.00    --   -7.95 -19.00  30.00   52
  9  ω    -41.00   7.00   0.50   15.00    --   -7.95 -77.00  30.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0423021000
_diffrn_orient_matrix_UB_12      -0.0150834000
_diffrn_orient_matrix_UB_13      -0.0150597000
_diffrn_orient_matrix_UB_21      0.0166996000
_diffrn_orient_matrix_UB_22      -0.0370239000
_diffrn_orient_matrix_UB_23      0.0141090000
_diffrn_orient_matrix_UB_31      -0.0033308000
_diffrn_orient_matrix_UB_32      0.0058159000
_diffrn_orient_matrix_UB_33      0.0506984000
_diffrn_oxdiff_digest_frames     
;
019ae54807e4d4839d35c571e9c8a2fb9c0002566bb
;
_diffrn_oxdiff_digest_hkl        
;
0125aad8e45b23c4038ff45efcb740cb351285
;
_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                7718
_reflns_number_total             10489
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.390
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         10489
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0373
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0290P)²+5.7919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0858
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: C11B(0.725) H11B(0.725) C12B(0.71) H12E(0.71) H12F(0.71) C1(0.275)
 H1(0.275) C3(0.29) H3A(0.29) H3B(0.29)
3.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C10A(H10C,H10D)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C2A(H2A), C2B(H2B), C8(H8), C8A(H8A), C8B(H8B), C11(H11), C11A(H11A),
 C11B(H11B), C1(H1)
3.c X=CH2 refined with riding coordinates:
 C12(H12A,H12B), C12A(H12C,H12D), C12B(H12E,H12F), C3(H3A,H3B)
;
_atom_sites_solution_hydrogens   mixed
_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 0.62202(2) 0.37207(2) 0.71306(2) 0.01740(7) Uani 1 1 d . . . . .
Ag2 Ag 0.71676(2) 0.38295(2) 0.93890(2) 0.01693(7) Uani 1 1 d . . . . .
Cl1 Cl 0.84410(9) 0.68284(7) 0.64948(8) 0.0371(3) Uani 1 1 d . . . . .
Cl1A Cl 0.25044(7) 0.41240(8) 0.83554(8) 0.0352(3) Uani 1 1 d . . . . .
Cl1B Cl 0.88129(7) 0.08036(5) 0.68379(7) 0.0220(2) Uani 1 1 d . . . . .
N1 N 0.7210(3) 0.58305(19) 0.5964(2) 0.0246(8) Uani 1 1 d . . . . .
N1A N 0.3475(2) 0.3957(2) 0.7123(3) 0.0246(7) Uani 1 1 d . . . . .
N1B N 0.7505(2) 0.17195(18) 0.6127(2) 0.0174(6) Uani 1 1 d . . . . .
N3 N 0.6852(2) 0.48622(18) 0.7020(2) 0.0190(7) Uani 1 1 d . . . . .
N3A N 0.5006(2) 0.38976(17) 0.7574(2) 0.0180(7) Uani 1 1 d . . . . .
N3B N 0.6972(2) 0.26694(17) 0.7060(2) 0.0161(6) Uani 1 1 d . . . . .
N7 N 0.8539(2) 0.58822(18) 0.8685(2) 0.0179(7) Uani 1 1 d . . . . .
N7A N 0.4530(2) 0.40655(18) 0.9944(2) 0.0186(7) Uani 1 1 d . . . . .
N7B N 0.8584(2) 0.17190(17) 0.8935(2) 0.0173(6) Uani 1 1 d . . . . .
N9 N 0.7715(2) 0.48799(17) 0.8811(2) 0.0163(6) Uani 1 1 d . . . . .
N9A N 0.5724(2) 0.39760(18) 0.9409(2) 0.0182(7) Uani 1 1 d . . . . .
N9B N 0.7656(2) 0.26833(18) 0.8896(2) 0.0173(7) Uani 1 1 d . . . . .
C2 C 0.6742(3) 0.5235(2) 0.6131(3) 0.0216(8) Uani 1 1 d . . . . .
H2 H 0.630017 0.506767 0.557262 0.026 Uiso 1 1 calc R U . . .
C2A C 0.4229(3) 0.3895(2) 0.6904(3) 0.0202(8) Uani 1 1 d . . . . .
H2A H 0.420587 0.384467 0.621052 0.024 Uiso 1 1 calc R U . . .
C2B C 0.6977(3) 0.2292(2) 0.6206(3) 0.0179(8) Uani 1 1 d . . . . .
H2B H 0.657300 0.244090 0.559981 0.022 Uiso 1 1 calc R U . . .
C4 C 0.7470(3) 0.5148(2) 0.7813(3) 0.0165(7) Uani 1 1 d . . . . .
C4A C 0.5009(3) 0.3967(2) 0.8563(3) 0.0164(7) Uani 1 1 d . . . . .
C4B C 0.7535(2) 0.2407(2) 0.7917(3) 0.0142(7) Uani 1 1 d . . . . .
C5 C 0.7968(3) 0.5777(2) 0.7725(3) 0.0177(8) Uani 1 1 d . . . . .
C5A C 0.4257(3) 0.4031(2) 0.8870(3) 0.0177(8) Uani 1 1 d . . . . .
C5B C 0.8109(2) 0.1806(2) 0.7921(3) 0.0159(7) Uani 1 1 d . . . . .
C6 C 0.7820(3) 0.6099(2) 0.6743(3) 0.0230(9) Uani 1 1 d . . . . .
C6A C 0.3483(3) 0.4027(2) 0.8094(3) 0.0213(8) Uani 1 1 d . . . . .
C6B C 0.8091(2) 0.1485(2) 0.6982(3) 0.0164(7) Uani 1 1 d . . . . .
C8 C 0.8354(3) 0.5336(2) 0.9291(3) 0.0184(8) Uani 1 1 d . . . . .
H8 H 0.864955 0.528354 0.998632 0.022 Uiso 1 1 calc R U . . .
C8A C 0.5386(3) 0.4031(2) 1.0196(3) 0.0196(8) Uani 1 1 d . . . . .
H8A H 0.572492 0.404517 1.087825 0.024 Uiso 1 1 calc R U . . .
C8B C 0.8280(3) 0.2249(2) 0.9466(3) 0.0175(8) Uani 1 1 d . . . . .
H8B H 0.849234 0.230476 1.017780 0.021 Uiso 1 1 calc R U . . .
C10 C 0.9151(3) 0.6518(2) 0.9058(3) 0.0217(8) Uani 1 1 d . . . . .
H10A H 0.941643 0.666086 0.852524 0.026 Uiso 1 1 calc R U . . .
H10B H 0.960107 0.635572 0.966088 0.026 Uiso 1 1 calc R U . . .
C10A C 0.3999(3) 0.4069(2) 1.0658(3) 0.0189(8) Uani 1 1 d . . . . .
H10C H 0.355765 0.445556 1.043917 0.023 Uiso 1 1 calc R U . . .
H10D H 0.435554 0.420836 1.133962 0.023 Uiso 1 1 calc R U . . .
C10B C 0.9221(3) 0.1131(3) 0.9381(4) 0.0327(11) Uani 1 1 d . . . . .
H10E H 0.954(3) 0.131(2) 1.000(4) 0.026(12) Uiso 1 1 d . . . . .
H10F H 0.965(4) 0.109(3) 0.892(4) 0.048(16) Uiso 1 1 d . . . . .
C11 C 0.8686(3) 0.7188(2) 0.9329(3) 0.0248(9) Uani 1 1 d . . . . .
H11 H 0.843524 0.712503 0.986441 0.030 Uiso 1 1 calc R U . . .
C11A C 0.3577(3) 0.3322(2) 1.0729(3) 0.0221(8) Uani 1 1 d . . . . .
H11A H 0.323490 0.329682 1.117677 0.027 Uiso 1 1 calc R U . . .
C12 C 0.8601(4) 0.7854(3) 0.8878(4) 0.0366(11) Uani 1 1 d . . . . .
H12A H 0.884136 0.794111 0.833869 0.044 Uiso 1 1 calc R U . . .
H12B H 0.830037 0.824005 0.909544 0.044 Uiso 1 1 calc R U . . .
C12A C 0.3640(3) 0.2701(3) 1.0225(4) 0.0327(10) Uani 1 1 d . . . . .
H12C H 0.397472 0.269706 0.976730 0.039 Uiso 1 1 calc R U . . .
H12D H 0.335095 0.226308 1.032298 0.039 Uiso 1 1 calc R U . . .
C11B C 0.8903(5) 0.0361(3) 0.9382(4) 0.0305(14) Uani 0.725 1 d . . P A 1
H11B H 0.929761 -0.003568 0.947309 0.037 Uiso 0.725 1 calc R U P A 1
C12B C 0.8115(5) 0.0193(4) 0.9266(6) 0.0380(17) Uani 0.71 1 d . . P A 1
H12E H 0.770555 0.057688 0.917310 0.046 Uiso 0.71 1 calc R U P A 1
H12F H 0.795077 -0.031423 0.927354 0.046 Uiso 0.71 1 calc R U P A 1
C1 C 0.8546(11) 0.0484(8) 0.9729(12) 0.019(3) Uiso 0.275 1 d . . P A -1
H1 H 0.825141 0.062811 1.019863 0.022 Uiso 0.275 1 calc R U P A -1
C3 C 0.8441(11) -0.0223(10) 0.9334(12) 0.030(3) Uiso 0.29 1 d . . P A -1
H3A H 0.873261 -0.037267 0.886399 0.036 Uiso 0.29 1 calc R U P A -1
H3B H 0.807564 -0.056316 0.952970 0.036 Uiso 0.29 1 calc R U P A -1
Sb1B Sb 0.96576(2) 0.37841(2) 0.77528(2) 0.01805(7) Uani 1 1 d . . . . .
F1B F 0.9847(2) 0.46582(17) 0.8586(2) 0.0485(8) Uani 1 1 d . . . B 2
F2B F 1.0006(2) 0.43074(19) 0.6744(2) 0.0528(9) Uani 1 1 d . . . C 2
F3B F 0.8518(2) 0.4039(2) 0.7137(3) 0.0607(10) Uani 1 1 d . . . D 2
F4B F 0.9338(2) 0.3264(2) 0.8782(2) 0.0622(11) Uani 1 1 d . . . E 2
F5BB F 1.07988(18) 0.35232(18) 0.8384(2) 0.0412(7) Uani 1 1 d . . . F 2
F6BB F 0.9487(2) 0.29105(16) 0.6924(2) 0.0475(8) Uani 1 1 d . . . G 2
Sb2 Sb 0.54488(2) 0.13390(2) 0.88345(2) 0.01856(7) Uani 1 1 d . . . . .
F7 F 0.5169(2) 0.14485(19) 1.00797(19) 0.0458(8) Uani 1 1 d . . . . .
F8 F 0.5567(2) 0.23903(15) 0.8764(3) 0.0550(9) Uani 1 1 d . . . . .
F9 F 0.42910(17) 0.14129(14) 0.80840(19) 0.0302(6) Uani 1 1 d . . . . .
F10 F 0.5333(2) 0.02932(15) 0.8923(2) 0.0498(8) Uani 1 1 d . . . . .
F11 F 0.66031(17) 0.12741(14) 0.9604(2) 0.0331(6) Uani 1 1 d . . . . .
F12 F 0.5774(2) 0.1210(2) 0.7618(2) 0.0567(10) 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
Ag1 Ag2 3.0088(4) . ?
Ag1 N3 2.275(3) . ?
Ag1 N3A 2.236(3) . ?
Ag1 N3B 2.229(3) . ?
Ag2 N1B 2.452(3) 4_566 ?
Ag2 N9 2.278(3) . ?
Ag2 N9A 2.363(3) . ?
Ag2 N9B 2.328(3) . ?
Cl1 C6 1.720(4) . ?
Cl1A C6A 1.728(4) . ?
Cl1B C6B 1.722(4) . ?
N1 C2 1.347(5) . ?
N1 C6 1.311(6) . ?
N1A C2A 1.342(5) . ?
N1A C6A 1.314(5) . ?
N1B C2B 1.344(5) . ?
N1B C6B 1.336(5) . ?
N3 C2 1.334(5) . ?
N3 C4 1.341(5) . ?
N3A C2A 1.327(5) . ?
N3A C4A 1.339(5) . ?
N3B C2B 1.332(5) . ?
N3B C4B 1.338(5) . ?
N7 C5 1.376(5) . ?
N7 C8 1.349(5) . ?
N7 C10 1.484(5) . ?
N7A C5A 1.392(5) . ?
N7A C8A 1.335(5) . ?
N7A C10A 1.463(5) . ?
N7B C5B 1.377(5) . ?
N7B C8B 1.349(5) . ?
N7B C10B 1.465(5) . ?
N9 C4 1.377(5) . ?
N9 C8 1.325(5) . ?
N9A C4A 1.379(5) . ?
N9A C8A 1.329(5) . ?
N9B C4B 1.370(5) . ?
N9B C8B 1.326(5) . ?
C2 H2 0.9300 . ?
C2A H2A 0.9300 . ?
C2B H2B 0.9300 . ?
C4 C5 1.392(5) . ?
C4A C5A 1.399(5) . ?
C4B C5B 1.406(5) . ?
C5 C6 1.399(5) . ?
C5A C6A 1.390(6) . ?
C5B C6B 1.381(5) . ?
C8 H8 0.9300 . ?
C8A H8A 0.9300 . ?
C8B H8B 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.498(6) . ?
C10A H10C 0.9700 . ?
C10A H10D 0.9700 . ?
C10A C11A 1.495(6) . ?
C10B H10E 0.91(5) . ?
C10B H10F 1.05(6) . ?
C10B C11B 1.446(8) . ?
C10B C1 1.732(16) . ?
C11 H11 0.9300 . ?
C11 C12 1.308(6) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.303(6) . ?
C12 H12A 0.9300 . ?
C12 H12B 0.9300 . ?
C12A H12C 0.9300 . ?
C12A H12D 0.9300 . ?
C11B H11B 0.9300 . ?
C11B C12B 1.278(10) . ?
C11B C1 0.869(16) . ?
C11B C3 1.262(18) . ?
C12B H12E 0.9300 . ?
C12B H12F 0.9300 . ?
C12B C1 0.946(16) . ?
C12B C3 0.890(17) . ?
C1 H1 0.9300 . ?
C1 C3 1.34(2) . ?
C3 H3A 0.9300 . ?
C3 H3B 0.9300 . ?
Sb1B F1B 1.876(3) . ?
Sb1B F2B 1.859(3) . ?
Sb1B F3B 1.855(3) . ?
Sb1B F4B 1.855(3) . ?
Sb1B F5BB 1.863(3) . ?
Sb1B F6BB 1.873(3) . ?
Sb2 F7 1.871(2) . ?
Sb2 F8 1.861(3) . ?
Sb2 F9 1.869(3) . ?
Sb2 F10 1.853(3) . ?
Sb2 F11 1.870(3) . ?
Sb2 F12 1.874(3) . ?

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
N3 Ag1 Ag2 84.26(8) . . ?
N3A Ag1 Ag2 87.48(8) . . ?
N3A Ag1 N3 109.99(11) . . ?
N3B Ag1 Ag2 88.11(8) . . ?
N3B Ag1 N3 117.73(12) . . ?
N3B Ag1 N3A 131.31(11) . . ?
N1B Ag2 Ag1 149.03(8) 4_566 . ?
N9 Ag2 Ag1 80.87(8) . . ?
N9 Ag2 N1B 129.99(11) . 4_566 ?
N9 Ag2 N9A 113.51(11) . . ?
N9 Ag2 N9B 113.91(11) . . ?
N9A Ag2 Ag1 78.13(8) . . ?
N9A Ag2 N1B 89.21(11) . 4_566 ?
N9B Ag2 Ag1 76.88(8) . . ?
N9B Ag2 N1B 86.08(10) . 4_566 ?
N9B Ag2 N9A 121.04(11) . . ?
C6 N1 C2 118.5(3) . . ?
C6A N1A C2A 118.4(4) . . ?
C2B N1B Ag2 113.2(2) . 4_565 ?
C6B N1B Ag2 128.1(2) . 4_565 ?
C6B N1B C2B 118.5(3) . . ?
C2 N3 Ag1 122.9(3) . . ?
C2 N3 C4 114.4(3) . . ?
C4 N3 Ag1 121.8(2) . . ?
C2A N3A Ag1 123.6(2) . . ?
C2A N3A C4A 114.7(3) . . ?
C4A N3A Ag1 121.6(3) . . ?
C2B N3B Ag1 125.9(3) . . ?
C2B N3B C4B 114.1(3) . . ?
C4B N3B Ag1 119.8(2) . . ?
C5 N7 C10 128.9(3) . . ?
C8 N7 C5 105.7(3) . . ?
C8 N7 C10 124.8(3) . . ?
C5A N7A C10A 127.9(3) . . ?
C8A N7A C5A 105.4(3) . . ?
C8A N7A C10A 126.5(3) . . ?
C5B N7B C10B 128.2(3) . . ?
C8B N7B C5B 105.5(3) . . ?
C8B N7B C10B 126.0(3) . . ?
C4 N9 Ag2 125.4(3) . . ?
C8 N9 Ag2 130.4(2) . . ?
C8 N9 C4 104.0(3) . . ?
C4A N9A Ag2 126.4(2) . . ?
C8A N9A Ag2 130.5(3) . . ?
C8A N9A C4A 103.0(3) . . ?
C4B N9B Ag2 127.9(2) . . ?
C8B N9B Ag2 126.7(2) . . ?
C8B N9B C4B 103.6(3) . . ?
N1 C2 H2 116.8 . . ?
N3 C2 N1 126.4(4) . . ?
N3 C2 H2 116.8 . . ?
N1A C2A H2A 116.7 . . ?
N3A C2A N1A 126.6(4) . . ?
N3A C2A H2A 116.7 . . ?
N1B C2B H2B 116.6 . . ?
N3B C2B N1B 126.9(4) . . ?
N3B C2B H2B 116.6 . . ?
N3 C4 N9 126.7(3) . . ?
N3 C4 C5 123.4(3) . . ?
N9 C4 C5 109.9(3) . . ?
N3A C4A N9A 126.4(4) . . ?
N3A C4A C5A 123.0(4) . . ?
N9A C4A C5A 110.6(3) . . ?
N3B C4B N9B 126.2(3) . . ?
N3B C4B C5B 123.5(3) . . ?
N9B C4B C5B 110.3(3) . . ?
N7 C5 C4 106.2(3) . . ?
N7 C5 C6 136.8(4) . . ?
C4 C5 C6 116.9(4) . . ?
N7A C5A C4A 105.4(3) . . ?
C6A C5A N7A 137.6(4) . . ?
C6A C5A C4A 117.0(3) . . ?
N7B C5B C4B 105.7(3) . . ?
N7B C5B C6B 136.8(4) . . ?
C6B C5B C4B 117.4(3) . . ?
N1 C6 Cl1 117.6(3) . . ?
N1 C6 C5 120.2(4) . . ?
C5 C6 Cl1 122.1(3) . . ?
N1A C6A Cl1A 117.5(3) . . ?
N1A C6A C5A 120.3(4) . . ?
C5A C6A Cl1A 122.1(3) . . ?
N1B C6B Cl1B 117.2(3) . . ?
N1B C6B C5B 119.5(3) . . ?
C5B C6B Cl1B 123.2(3) . . ?
N7 C8 H8 122.9 . . ?
N9 C8 N7 114.2(3) . . ?
N9 C8 H8 122.9 . . ?
N7A C8A H8A 122.2 . . ?
N9A C8A N7A 115.6(4) . . ?
N9A C8A H8A 122.2 . . ?
N7B C8B H8B 122.5 . . ?
N9B C8B N7B 114.9(3) . . ?
N9B C8B H8B 122.5 . . ?
N7 C10 H10A 109.7 . . ?
N7 C10 H10B 109.7 . . ?
N7 C10 C11 109.8(3) . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
N7A C10A H10C 108.8 . . ?
N7A C10A H10D 108.8 . . ?
N7A C10A C11A 113.8(3) . . ?
H10C C10A H10D 107.7 . . ?
C11A C10A H10C 108.8 . . ?
C11A C10A H10D 108.8 . . ?
N7B C10B H10E 107(3) . . ?
N7B C10B H10F 108(3) . . ?
N7B C10B C1 98.5(6) . . ?
H10E C10B H10F 105(4) . . ?
C11B C10B N7B 116.7(5) . . ?
C11B C10B H10E 116(3) . . ?
C11B C10B H10F 103(3) . . ?
C11B C10B C1 30.1(5) . . ?
C1 C10B H10E 103(3) . . ?
C1 C10B H10F 133(3) . . ?
C10 C11 H11 117.2 . . ?
C12 C11 C10 125.6(4) . . ?
C12 C11 H11 117.2 . . ?
C10A C11A H11A 116.7 . . ?
C12A C11A C10A 126.5(4) . . ?
C12A C11A H11A 116.7 . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 H12B 120.0 . . ?
H12A C12 H12B 120.0 . . ?
C11A C12A H12C 120.0 . . ?
C11A C12A H12D 120.0 . . ?
H12C C12A H12D 120.0 . . ?
C10B C11B H11B 118.0 . . ?
C12B C11B C10B 124.1(6) . . ?
C12B C11B H11B 118.0 . . ?
C1 C11B C10B 93.5(12) . . ?
C1 C11B H11B 130.7 . . ?
C1 C11B C12B 47.7(11) . . ?
C1 C11B C3 75.6(14) . . ?
C3 C11B C10B 165.1(10) . . ?
C3 C11B H11B 76.9 . . ?
C3 C11B C12B 41.0(8) . . ?
C11B C12B H12E 120.0 . . ?
C11B C12B H12F 120.0 . . ?
H12E C12B H12F 120.0 . . ?
C1 C12B C11B 42.8(10) . . ?
C1 C12B H12E 93.6 . . ?
C1 C12B H12F 132.1 . . ?
C3 C12B C11B 68.5(13) . . ?
C3 C12B H12E 171.4 . . ?
C3 C12B H12F 51.5 . . ?
C3 C12B C1 93.9(17) . . ?
C10B C1 H1 119.4 . . ?
C11B C1 C10B 56.5(10) . . ?
C11B C1 C12B 89.4(16) . . ?
C11B C1 H1 169.7 . . ?
C11B C1 C3 65.6(13) . . ?
C12B C1 C10B 125.5(14) . . ?
C12B C1 H1 100.0 . . ?
C12B C1 C3 41.4(10) . . ?
C3 C1 C10B 121.2(13) . . ?
C3 C1 H1 119.4 . . ?
C11B C3 C1 38.8(8) . . ?
C11B C3 H3A 81.7 . . ?
C11B C3 H3B 157.5 . . ?
C12B C3 C11B 70.4(12) . . ?
C12B C3 C1 44.6(11) . . ?
C12B C3 H3A 124.2 . . ?
C12B C3 H3B 98.6 . . ?
C1 C3 H3A 120.0 . . ?
C1 C3 H3B 120.0 . . ?
H3A C3 H3B 120.0 . . ?
F2B Sb1B F1B 90.17(14) . . ?
F2B Sb1B F5BB 89.34(14) . . ?
F2B Sb1B F6BB 89.50(14) . . ?
F3B Sb1B F1B 92.59(15) . . ?
F3B Sb1B F2B 91.31(16) . . ?
F3B Sb1B F5BB 179.35(15) . . ?
F3B Sb1B F6BB 88.26(15) . . ?
F4B Sb1B F1B 89.22(15) . . ?
F4B Sb1B F2B 178.52(15) . . ?
F4B Sb1B F3B 90.07(17) . . ?
F4B Sb1B F5BB 89.28(15) . . ?
F4B Sb1B F6BB 91.09(15) . . ?
F5BB Sb1B F1B 87.34(14) . . ?
F5BB Sb1B F6BB 91.81(14) . . ?
F6BB Sb1B F1B 179.09(14) . . ?
F7 Sb2 F12 177.56(14) . . ?
F8 Sb2 F7 89.91(16) . . ?
F8 Sb2 F9 90.32(13) . . ?
F8 Sb2 F11 89.28(13) . . ?
F8 Sb2 F12 90.95(16) . . ?
F9 Sb2 F7 91.08(12) . . ?
F9 Sb2 F11 179.02(12) . . ?
F9 Sb2 F12 91.19(13) . . ?
F10 Sb2 F7 89.37(15) . . ?
F10 Sb2 F8 179.23(15) . . ?
F10 Sb2 F9 89.96(13) . . ?
F10 Sb2 F11 90.43(12) . . ?
F10 Sb2 F12 89.76(16) . . ?
F11 Sb2 F7 88.03(12) . . ?
F11 Sb2 F12 89.71(13) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C2 H2 F10 0.93 2.42 3.336(5) 168.9 4_565 yes
C2A H2A F7 0.93 2.53 3.296(5) 140.4 4_565 yes
C2B H2B F8 0.93 2.57 3.487(5) 168.1 4_565 yes
C2B H2B F11 0.93 2.63 3.263(4) 125.4 4_565 yes
C8 H8 F1B 0.93 2.65 3.465(5) 146.8 3_767 yes
C8A H8A F12 0.93 2.37 3.180(5) 145.3 4_566 yes
C8B H8B F6BB 0.93 2.48 3.356(5) 156.6 4_566 yes
C10 H10A Cl1 0.97 2.77 3.370(4) 120.9 . yes
C10 H10B F4B 0.97 2.40 3.259(5) 146.7 3_767 yes
C10A H10D F9 0.97 2.62 3.285(4) 125.6 4_566 yes
C10A H10D F12 0.97 2.56 3.351(5) 138.4 4_566 yes
C10B H10E F2B 0.91(5) 2.51(5) 3.178(5) 131(3) 4_566 yes
C10B H10F Cl1B 1.05(6) 2.80(6) 3.359(5) 113(4) . yes
C11 H11 Cl1 0.93 2.87 3.514(4) 127.8 4_576 yes
C11 H11 F5BB 0.93 2.60 3.216(5) 123.9 3_767 yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N3 C2 N1 -166.6(3) . . . . ?
Ag1 N3 C4 N9 -10.6(5) . . . . ?
Ag1 N3 C4 C5 169.1(3) . . . . ?
Ag1 N3A C2A N1A 176.2(3) . . . . ?
Ag1 N3A C4A N9A 3.2(5) . . . . ?
Ag1 N3A C4A C5A -176.0(3) . . . . ?
Ag1 N3B C2B N1B 170.6(3) . . . . ?
Ag1 N3B C4B N9B 6.4(5) . . . . ?
Ag1 N3B C4B C5B -172.0(3) . . . . ?
Ag2 N1B C2B N3B 176.0(3) 4_565 . . . ?
Ag2 N1B C6B Cl1B 10.3(5) 4_565 . . . ?
Ag2 N1B C6B C5B -171.3(3) 4_565 . . . ?
Ag2 N9 C4 N3 2.7(5) . . . . ?
Ag2 N9 C4 C5 -177.0(2) . . . . ?
Ag2 N9 C8 N7 176.1(2) . . . . ?
Ag2 N9A C4A N3A -2.3(5) . . . . ?
Ag2 N9A C4A C5A 177.0(2) . . . . ?
Ag2 N9A C8A N7A -176.2(3) . . . . ?
Ag2 N9B C4B N3B -14.2(5) . . . . ?
Ag2 N9B C4B C5B 164.5(2) . . . . ?
Ag2 N9B C8B N7B -164.5(2) . . . . ?
N3 C4 C5 N7 -178.5(3) . . . . ?
N3 C4 C5 C6 -2.1(6) . . . . ?
N3A C4A C5A N7A 178.1(3) . . . . ?
N3A C4A C5A C6A -0.4(6) . . . . ?
N3B C4B C5B N7B 178.9(3) . . . . ?
N3B C4B C5B C6B 1.2(5) . . . . ?
N7 C5 C6 Cl1 0.1(7) . . . . ?
N7 C5 C6 N1 177.8(4) . . . . ?
N7 C10 C11 C12 -116.8(5) . . . . ?
N7A C5A C6A Cl1A 3.6(7) . . . . ?
N7A C5A C6A N1A -177.3(4) . . . . ?
N7A C10A C11A C12A -0.3(6) . . . . ?
N7B C5B C6B Cl1B -2.6(7) . . . . ?
N7B C5B C6B N1B 179.1(4) . . . . ?
N7B C10B C11B C12B -18.0(9) . . . . ?
N7B C10B C11B C1 -57.4(12) . . . . ?
N7B C10B C11B C3 -15(4) . . . . ?
N7B C10B C1 C11B 130.4(10) . . . . ?
N7B C10B C1 C12B 69.6(18) . . . . ?
N7B C10B C1 C3 119.4(14) . . . . ?
N9 C4 C5 N7 1.2(4) . . . . ?
N9 C4 C5 C6 177.6(3) . . . . ?
N9A C4A C5A N7A -1.2(4) . . . . ?
N9A C4A C5A C6A -179.7(3) . . . . ?
N9B C4B C5B N7B 0.2(4) . . . . ?
N9B C4B C5B C6B -177.4(3) . . . . ?
C2 N1 C6 Cl1 176.9(3) . . . . ?
C2 N1 C6 C5 -0.9(6) . . . . ?
C2 N3 C4 N9 179.7(4) . . . . ?
C2 N3 C4 C5 -0.7(5) . . . . ?
C2A N1A C6A Cl1A 178.8(3) . . . . ?
C2A N1A C6A C5A -0.4(6) . . . . ?
C2A N3A C4A N9A 179.2(3) . . . . ?
C2A N3A C4A C5A 0.0(5) . . . . ?
C2B N1B C6B Cl1B -174.9(3) . . . . ?
C2B N1B C6B C5B 3.4(5) . . . . ?
C2B N3B C4B N9B -179.2(3) . . . . ?
C2B N3B C4B C5B 2.3(5) . . . . ?
C4 N3 C2 N1 3.0(6) . . . . ?
C4 N9 C8 N7 0.5(4) . . . . ?
C4 C5 C6 Cl1 -174.8(3) . . . . ?
C4 C5 C6 N1 2.9(6) . . . . ?
C4A N3A C2A N1A 0.3(6) . . . . ?
C4A N9A C8A N7A -0.6(4) . . . . ?
C4A C5A C6A Cl1A -178.5(3) . . . . ?
C4A C5A C6A N1A 0.6(6) . . . . ?
C4B N3B C2B N1B -3.3(5) . . . . ?
C4B N9B C8B N7B 0.9(4) . . . . ?
C4B C5B C6B Cl1B 174.1(3) . . . . ?
C4B C5B C6B N1B -4.2(5) . . . . ?
C5 N7 C8 N9 0.3(4) . . . . ?
C5 N7 C10 C11 79.9(5) . . . . ?
C5A N7A C8A N9A -0.1(5) . . . . ?
C5A N7A C10A C11A 71.0(5) . . . . ?
C5B N7B C8B N9B -0.8(4) . . . . ?
C5B N7B C10B C11B -67.1(6) . . . . ?
C5B N7B C10B C1 -92.3(7) . . . . ?
C6 N1 C2 N3 -2.2(6) . . . . ?
C6A N1A C2A N3A -0.1(6) . . . . ?
C6B N1B C2B N3B 0.5(6) . . . . ?
C8 N7 C5 C4 -0.9(4) . . . . ?
C8 N7 C5 C6 -176.2(5) . . . . ?
C8 N7 C10 C11 -90.3(4) . . . . ?
C8 N9 C4 N3 178.7(4) . . . . ?
C8 N9 C4 C5 -1.0(4) . . . . ?
C8A N7A C5A C4A 0.8(4) . . . . ?
C8A N7A C5A C6A 178.8(5) . . . . ?
C8A N7A C10A C11A -103.1(4) . . . . ?
C8A N9A C4A N3A -178.2(4) . . . . ?
C8A N9A C4A C5A 1.1(4) . . . . ?
C8B N7B C5B C4B 0.3(4) . . . . ?
C8B N7B C5B C6B 177.3(4) . . . . ?
C8B N7B C10B C11B 105.7(5) . . . . ?
C8B N7B C10B C1 80.5(7) . . . . ?
C8B N9B C4B N3B -179.3(4) . . . . ?
C8B N9B C4B C5B -0.7(4) . . . . ?
C10 N7 C5 C4 -172.5(4) . . . . ?
C10 N7 C5 C6 12.2(7) . . . . ?
C10 N7 C8 N9 172.4(3) . . . . ?
C10A N7A C5A C4A -174.2(3) . . . . ?
C10A N7A C5A C6A 3.8(7) . . . . ?
C10A N7A C8A N9A 175.0(3) . . . . ?
C10B N7B C5B C4B 174.3(4) . . . . ?
C10B N7B C5B C6B -8.8(7) . . . . ?
C10B N7B C8B N9B -174.9(4) . . . . ?
C10B C11B C12B C1 -59.0(15) . . . . ?
C10B C11B C12B C3 178.8(13) . . . . ?
C10B C11B C1 C12B 134.6(10) . . . . ?
C10B C11B C1 C3 169.6(9) . . . . ?
C10B C11B C3 C12B -4(4) . . . . ?
C10B C11B C3 C1 -44(4) . . . . ?
C10B C1 C3 C11B 10.1(9) . . . . ?
C10B C1 C3 C12B -109.8(17) . . . . ?
C11B C10B C1 C12B -60.9(16) . . . . ?
C11B C10B C1 C3 -11.0(10) . . . . ?
C11B C12B C1 C10B 46.7(12) . . . . ?
C11B C12B C1 C3 -52.1(16) . . . . ?
C11B C12B C3 C1 35.2(11) . . . . ?
C11B C1 C3 C12B -119.9(18) . . . . ?
C12B C11B C1 C10B -134.6(10) . . . . ?
C12B C11B C1 C3 35.0(11) . . . . ?
C12B C11B C3 C1 -40.3(14) . . . . ?
C12B C1 C3 C11B 119.9(18) . . . . ?
C1 C10B C11B C12B 39.5(11) . . . . ?
C1 C10B C11B C3 43(3) . . . . ?
C1 C11B C12B C3 -122.2(19) . . . . ?
C1 C11B C3 C12B 40.3(14) . . . . ?
C1 C12B C3 C11B -35.2(11) . . . . ?
C3 C11B C12B C1 122.2(19) . . . . ?
C3 C11B C1 C10B -169.6(9) . . . . ?
C3 C11B C1 C12B -35.0(11) . . . . ?
C3 C12B C1 C10B 98.8(18) . . . . ?
C3 C12B C1 C11B 52.1(16) . . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted on the loop'
_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 1.527
_oxdiff_exptl_absorpt_empirical_full_min 0.604

# start Validation Reply Form
_vrf_PLAT910_sjp-db-as           
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         14 Note  
RESPONSE: These low-angle reflections are probably missing due to the beam stop 
or were affected by unexpected deviations in their intensities for symmetry 
equivalent measurements and omitted during initial data reduction.
;
# end Validation Reply Form
