# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_sad_a
_database_code_depnum_ccdc_archive 'CCDC 2291149'
loop_
_audit_author_name
_audit_author_address
'Marian Hebenbrock'
;University of Muenster
Germany
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2023-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H15 B F N O2'
_chemical_formula_weight         223.05

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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   6.7095(3)
_cell_length_b                   10.7458(5)
_cell_length_c                   15.4294(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1112.44(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    102(2)
_cell_measurement_reflns_used    9939
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_F_000             472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.100
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.983
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6298
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      102(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  
'Bruker Venture D8 mit Photon III CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14570
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.640
_diffrn_reflns_theta_max         27.454
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             1338
_reflns_number_gt                1312
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX3 2019/0'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SAINT+'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0435P)²+0.7119P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1338
_refine_ls_number_parameters     102
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.1109
_refine_ls_wR_factor_gt          0.1107
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
F1 F -0.09626(19) 0.750000 0.73572(7) 0.0435(4) Uani 1 2 d S T P . .
O1 O 0.24626(14) 0.63627(10) 0.35267(6) 0.0357(3) Uani 1 1 d . . . . .
N1 N 0.5314(2) 0.750000 0.41040(9) 0.0238(3) Uani 1 2 d S T P . .
C1 C 0.6114(3) 0.750000 0.49759(13) 0.0622(10) Uani 1 2 d S T P A .
H1A H 0.585380 0.830712 0.524911 0.093 Uiso 0.5 1 calc R U P . .
H1B H 0.755483 0.735313 0.495383 0.093 Uiso 0.5 1 calc R U P . .
H1C H 0.547541 0.683975 0.531479 0.093 Uiso 0.5 1 calc R U P . .
B1 B 0.2791(3) 0.750000 0.40103(12) 0.0200(4) Uani 1 2 d S T P A .
C2A C 0.5853(5) 0.6146(4) 0.3810(4) 0.0401(11) Uani 0.517(9) 1 d . U P A 1
H2AA H 0.717006 0.612763 0.352093 0.048 Uiso 0.517(9) 1 calc R U P A 1
H2AB H 0.588029 0.557305 0.431230 0.048 Uiso 0.517(9) 1 calc R U P A 1
C3A C 0.4267(17) 0.5803(10) 0.3204(5) 0.0430(17) Uani 0.517(9) 1 d . U P A 1
H3AA H 0.457323 0.611620 0.261602 0.052 Uiso 0.517(9) 1 calc R U P A 1
H3AB H 0.412403 0.488652 0.317699 0.052 Uiso 0.517(9) 1 calc R U P A 1
C2B C 0.5949(4) 0.6621(4) 0.3465(2) 0.0272(10) Uani 0.483(9) 1 d . U P A 2
H2BA H 0.718843 0.619186 0.364344 0.033 Uiso 0.483(9) 1 calc R U P A 2
H2BB H 0.616120 0.702412 0.289526 0.033 Uiso 0.483(9) 1 calc R U P A 2
C3B C 0.4158(16) 0.5712(10) 0.3439(5) 0.0331(13) Uani 0.483(9) 1 d . U P A 2
H3BA H 0.414824 0.525520 0.288229 0.040 Uiso 0.483(9) 1 calc R U P A 2
H3BB H 0.427529 0.509837 0.391514 0.040 Uiso 0.483(9) 1 calc R U P A 2
C4 C 0.1712(2) 0.750000 0.49371(10) 0.0166(3) Uani 1 2 d S T P . .
C5 C 0.12317(17) 0.63939(11) 0.53634(8) 0.0229(3) Uani 1 1 d . . . . .
H5 H 0.153138 0.562445 0.508965 0.028 Uiso 1 1 calc R U . . .
C6 C 0.03276(19) 0.63792(12) 0.61769(8) 0.0282(3) Uani 1 1 d . . . . .
H6 H 0.000525 0.561685 0.645532 0.034 Uiso 1 1 calc R U . . .
C7 C -0.0081(3) 0.750000 0.65622(11) 0.0267(4) Uani 1 2 d S T P . .


_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
F1 C7 1.3617(19) . ?
O1 C3B 1.342(11) . ?
O1 C3A 1.441(11) . ?
O1 B1 1.4488(13) . ?
N1 C2B 1.431(3) 7_575 ?
N1 C2B 1.431(3) . ?
N1 C1 1.449(2) . ?
N1 C2A 1.566(3) 7_575 ?
N1 C2A 1.566(3) . ?
N1 B1 1.699(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 H1A 0.98(3) 7_575 ?
C1 H1B 0.980(16) 7_575 ?
C1 H1C 0.98(4) 7_575 ?
B1 C4 1.603(2) . ?
C2A C3A 1.464(12) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C2B C3B 1.548(12) . ?
C2B C2B 1.890(10) 7_575 ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C3B H3BA 0.9900 . ?
C3B H3BB 0.9900 . ?
C4 C5 1.3962(14) . ?
C4 C5 1.3962(14) 7_575 ?
C5 C6 1.3941(17) . ?
C5 H5 0.9500 . ?
C6 C7 1.3709(16) . ?
C6 H6 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3B O1 B1 111.2(5) . . ?
C3A O1 B1 113.7(4) . . ?
C2B N1 C2B 82.7(4) 7_575 . ?
C2B N1 C1 121.99(19) 7_575 . ?
C2B N1 C1 122.00(19) . . ?
C1 N1 C2A 100.6(2) . 7_575 ?
C1 N1 C2A 100.6(2) . . ?
C2A N1 C2A 136.5(4) 7_575 . ?
C2B N1 B1 103.77(15) 7_575 . ?
C2B N1 B1 103.77(15) . . ?
C1 N1 B1 116.64(14) . . ?
C2A N1 B1 101.87(14) 7_575 . ?
C2A N1 B1 101.87(14) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C1 H1A 109.5(6) . 7_575 ?
H1A C1 H1A 124.5 . 7_575 ?
H1B C1 H1A 92.8 . 7_575 ?
H1C C1 H1A 18.5 . 7_575 ?
N1 C1 H1B 109.5(3) . 7_575 ?
H1A C1 H1B 92.8 . 7_575 ?
H1B C1 H1B 18.5 . 7_575 ?
H1C C1 H1B 124.5 . 7_575 ?
H1A C1 H1B 109.5 7_575 7_575 ?
N1 C1 H1C 109.5(9) . 7_575 ?
H1A C1 H1C 18.5 . 7_575 ?
H1B C1 H1C 124.5 . 7_575 ?
H1C C1 H1C 92.8 . 7_575 ?
H1A C1 H1C 109.5 7_575 7_575 ?
H1B C1 H1C 109.5 7_575 7_575 ?
O1 B1 O1 115.03(14) . 7_575 ?
O1 B1 C4 113.00(9) . . ?
O1 B1 C4 113.00(9) 7_575 . ?
O1 B1 N1 101.28(9) . . ?
O1 B1 N1 101.28(9) 7_575 . ?
C4 B1 N1 111.98(12) . . ?
C3A C2A N1 104.5(5) . . ?
C3A C2A H2AA 110.8 . . ?
N1 C2A H2AA 110.8 . . ?
C3A C2A H2AB 110.8 . . ?
N1 C2A H2AB 110.8 . . ?
H2AA C2A H2AB 108.9 . . ?
O1 C3A C2A 106.6(6) . . ?
O1 C3A H3AA 110.4 . . ?
C2A C3A H3AA 110.4 . . ?
O1 C3A H3AB 110.4 . . ?
C2A C3A H3AB 110.4 . . ?
H3AA C3A H3AB 108.6 . . ?
N1 C2B C3B 101.7(4) . . ?
N1 C2B C2B 48.7(2) . 7_575 ?
N1 C2B H2BA 111.4 . . ?
C3B C2B H2BA 111.4 . . ?
C2B C2B H2BA 117.7 7_575 . ?
N1 C2B H2BB 111.4 . . ?
C3B C2B H2BB 111.4 . . ?
C2B C2B H2BB 64.0 7_575 . ?
H2BA C2B H2BB 109.3 . . ?
O1 C3B C2B 109.1(7) . . ?
O1 C3B H3BA 109.9 . . ?
C2B C3B H3BA 109.9 . . ?
O1 C3B H3BB 109.9 . . ?
C2B C3B H3BB 109.9 . . ?
H3BA C3B H3BB 108.3 . . ?
C5 C4 C5 116.71(14) . 7_575 ?
C5 C4 B1 121.64(7) . . ?
C5 C4 B1 121.64(7) 7_575 . ?
C6 C5 C4 122.29(11) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C7 C6 C5 117.88(12) . . ?
C7 C6 H6 121.1 . . ?
C5 C6 H6 121.1 . . ?
F1 C7 C6 118.53(8) . 7_575 ?
F1 C7 C6 118.53(8) . . ?
C6 C7 C6 122.93(16) 7_575 . ?

_refine_diff_density_max         0.438
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.041

####################################################################### 
# 
# 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_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 2291150'
loop_
_audit_author_name
_audit_author_address
'Marian Hebenbrock'
;University of Muenster
Germany
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2023-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag4 F4'
_chemical_formula_weight         811.85

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.578(2)
_cell_length_b                   12.302(2)
_cell_length_c                   12.477(3)
_cell_angle_alpha                113.157(5)
_cell_angle_beta                 108.215(5)
_cell_angle_gamma                100.881(4)
_cell_volume                     1449.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    102(2)
_cell_measurement_reflns_used    9969
_cell_measurement_theta_min      2.9092
_cell_measurement_theta_max      26.3807

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_F_000             768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.694
_shelx_estimated_absorpt_T_min   0.530
_shelx_estimated_absorpt_T_max   0.900
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.373539
_exptl_absorpt_correction_T_max  0.490765
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      102(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  
'Bruker Venture D8 mit Photon III CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5779
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.976
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.975
_reflns_number_total             5779
_reflns_number_gt                5261
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX3 2019/0'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SAINT+'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.011 -0.011 -0.011 419 106 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
 Refined as a 2-component twin. The unit cell contains 2 MTBE molecules which have been treated as a diffuse contribution to the overall scattering without specific atom positions by SQUEEZE/PLATON.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0571P)²+2.3710P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5779
_refine_ls_number_parameters     290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0303
_refine_ls_wR_factor_ref         0.0954
_refine_ls_wR_factor_gt          0.0921
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
F1 F 0.5529(4) 0.1430(4) 0.6405(4) 0.0415(10) Uani 1 1 d . . . . .
C1 C 0.8045(5) 0.3649(5) 0.5701(5) 0.0217(11) Uani 1 1 d . . . . .
Ag2 Ag 0.98836(4) 0.58709(4) 0.39910(4) 0.01918(11) Uani 1 1 d . . . . .
Ag1 Ag 0.82367(4) 0.48389(4) 0.48010(4) 0.01935(11) Uani 1 1 d . . . . .
F2 F 0.5072(4) 0.6731(5) 0.1559(4) 0.0518(12) Uani 1 1 d . . . . .
C2 C 0.7847(5) 0.4148(5) 0.6821(6) 0.0227(12) Uani 1 1 d . . . . .
H2 H 0.829367 0.502243 0.742748 0.027 Uiso 1 1 calc R U . . .
Ag3 Ag 0.89895(4) 0.51605(4) 0.11063(4) 0.01893(10) Uani 1 1 d . . . . .
F3 F 0.8820(5) 1.0526(4) 0.3565(4) 0.0558(13) Uani 1 1 d . . . . .
C3 C 0.7026(5) 0.3417(6) 0.7076(6) 0.0264(12) Uani 1 1 d . . . . .
H3 H 0.692706 0.377014 0.785495 0.032 Uiso 1 1 calc R U . . .
Ag4 Ag 0.97427(4) 0.33640(4) -0.03522(4) 0.01944(10) Uani 1 1 d . . . . .
F4 F 0.6456(3) 0.0630(3) 0.1398(4) 0.0335(8) Uani 1 1 d . . . . .
C4 C 0.6354(6) 0.2158(5) 0.6168(6) 0.0267(13) Uani 1 1 d . . . . .
C5 C 0.6482(6) 0.1613(5) 0.5045(6) 0.0285(13) Uani 1 1 d . . . . .
H5 H 0.600510 0.074233 0.443830 0.034 Uiso 1 1 calc R U . . .
C6 C 0.7321(5) 0.2353(5) 0.4805(6) 0.0236(12) Uani 1 1 d . . . . .
H6 H 0.741063 0.198284 0.402329 0.028 Uiso 1 1 calc R U . . .
C7 C 0.7881(5) 0.5775(5) 0.3640(5) 0.0199(11) Uani 1 1 d . . . . .
C8 C 0.7829(6) 0.7003(6) 0.4160(6) 0.0271(12) Uani 1 1 d . . . . .
H8 H 0.846301 0.763340 0.499948 0.032 Uiso 1 1 calc R U . . .
C9 C 0.6862(7) 0.7313(6) 0.3462(6) 0.0344(14) Uani 1 1 d . . . . .
H9 H 0.682787 0.813819 0.382605 0.041 Uiso 1 1 calc R U . . .
C10 C 0.5983(6) 0.6414(7) 0.2263(6) 0.0341(15) Uani 1 1 d . . . . .
C11 C 0.5944(6) 0.5185(7) 0.1690(6) 0.0322(14) Uani 1 1 d . . . . .
H11 H 0.528939 0.456663 0.085598 0.039 Uiso 1 1 calc R U . . .
C12 C 0.6920(5) 0.4893(5) 0.2401(5) 0.0224(11) Uani 1 1 d . . . . .
H12 H 0.692885 0.405812 0.202240 0.027 Uiso 1 1 calc R U . . .
C13 C 0.9248(6) 0.7126(5) 0.1602(5) 0.0213(11) Uani 1 1 d . . . . .
C14 C 1.0186(6) 0.8080(5) 0.2818(5) 0.0224(11) Uani 1 1 d . . . . .
H14 H 1.094384 0.793614 0.321362 0.027 Uiso 1 1 calc R U . . .
C15 C 1.0066(6) 0.9224(5) 0.3476(6) 0.0287(13) Uani 1 1 d . . . . .
H15 H 1.072757 0.985351 0.430064 0.034 Uiso 1 1 calc R U . . .
C16 C 0.8963(8) 0.9425(6) 0.2904(6) 0.0344(15) Uani 1 1 d . . . . .
C17 C 0.7988(7) 0.8532(7) 0.1710(7) 0.0377(16) Uani 1 1 d . . . . .
H17 H 0.722623 0.868530 0.134071 0.045 Uiso 1 1 calc R U . . .
C18 C 0.8146(6) 0.7395(6) 0.1057(6) 0.0290(13) Uani 1 1 d . . . . .
H18 H 0.749238 0.678320 0.021971 0.035 Uiso 1 1 calc R U . . .
C19 C 0.8542(5) 0.3157(5) 0.0658(5) 0.0215(11) Uani 1 1 d . . . . .
C20 C 0.9109(5) 0.2976(5) 0.1709(5) 0.0198(11) Uani 1 1 d . . . . .
H20 H 1.000591 0.344722 0.226624 0.024 Uiso 1 1 calc R U . . .
C21 C 0.8426(5) 0.2139(5) 0.1982(5) 0.0218(11) Uani 1 1 d . . . . .
H21 H 0.883229 0.204630 0.271377 0.026 Uiso 1 1 calc R U . . .
C22 C 0.7129(6) 0.1450(5) 0.1140(6) 0.0241(12) Uani 1 1 d . . . . .
C23 C 0.6504(6) 0.1552(5) 0.0064(6) 0.0254(12) Uani 1 1 d . . . . .
H23 H 0.561274 0.105525 -0.049989 0.030 Uiso 1 1 calc R U . . .
C24 C 0.7214(6) 0.2402(5) -0.0168(6) 0.0245(12) Uani 1 1 d . . . . .
H24 H 0.679708 0.248177 -0.090684 0.029 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C4 1.365(6) . ?
C1 C2 1.400(8) . ?
C1 C6 1.414(8) . ?
C1 Ag1 2.186(5) . ?
C1 Ag2 2.227(5) 2_766 ?
Ag2 C7 2.192(5) . ?
Ag2 Ag1 2.7335(6) 2_766 ?
Ag2 Ag1 2.7513(7) . ?
Ag2 Ag3 3.1057(9) . ?
Ag1 C7 2.170(5) . ?
F2 C10 1.372(6) . ?
C2 C3 1.380(8) . ?
C2 H2 0.9500 . ?
Ag3 C13 2.181(5) . ?
Ag3 C19 2.215(5) . ?
Ag3 Ag4 2.7410(6) . ?
Ag3 Ag4 2.7452(7) 2_765 ?
F3 C16 1.355(7) . ?
C3 C4 1.379(8) . ?
C3 H3 0.9500 . ?
Ag4 C19 2.191(6) . ?
Ag4 C13 2.197(6) 2_765 ?
F4 C22 1.358(6) . ?
C4 C5 1.365(9) . ?
C5 C6 1.387(8) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.398(8) . ?
C7 C8 1.413(8) . ?
C8 C9 1.403(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.348(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(10) . ?
C11 C12 1.403(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.395(8) . ?
C13 C18 1.412(8) . ?
C14 C15 1.381(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(10) . ?
C17 C18 1.396(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.395(8) . ?
C19 C24 1.417(8) . ?
C20 C21 1.392(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(8) . ?
C23 C24 1.385(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 116.6(5) . . ?
C2 C1 Ag1 117.1(4) . . ?
C6 C1 Ag1 113.7(4) . . ?
C2 C1 Ag2 115.5(4) . 2_766 ?
C6 C1 Ag2 111.0(4) . 2_766 ?
Ag1 C1 Ag2 76.53(17) . 2_766 ?
C7 Ag2 C1 167.3(2) . 2_766 ?
C7 Ag2 Ag1 140.55(14) . 2_766 ?
C1 Ag2 Ag1 51.06(14) 2_766 2_766 ?
C7 Ag2 Ag1 50.55(14) . . ?
C1 Ag2 Ag1 140.38(14) 2_766 . ?
Ag1 Ag2 Ag1 90.00(2) 2_766 . ?
C7 Ag2 Ag3 84.90(14) . . ?
C1 Ag2 Ag3 90.66(14) 2_766 . ?
Ag1 Ag2 Ag3 122.075(19) 2_766 . ?
Ag1 Ag2 Ag3 120.88(2) . . ?
C7 Ag1 C1 165.03(19) . . ?
C7 Ag1 Ag2 141.24(14) . 2_766 ?
C1 Ag1 Ag2 52.40(14) . 2_766 ?
C7 Ag1 Ag2 51.25(14) . . ?
C1 Ag1 Ag2 141.68(14) . . ?
Ag2 Ag1 Ag2 90.00(2) 2_766 . ?
C3 C2 C1 122.4(5) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C13 Ag3 C19 173.7(2) . . ?
C13 Ag3 Ag4 134.81(15) . . ?
C19 Ag3 Ag4 51.13(15) . . ?
C13 Ag3 Ag4 51.43(15) . 2_765 ?
C19 Ag3 Ag4 134.40(15) . 2_765 ?
Ag4 Ag3 Ag4 83.38(2) . 2_765 ?
C13 Ag3 Ag2 90.39(14) . . ?
C19 Ag3 Ag2 87.43(15) . . ?
Ag4 Ag3 Ag2 117.489(19) . . ?
Ag4 Ag3 Ag2 121.63(2) 2_765 . ?
C4 C3 C2 118.0(6) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C19 Ag4 C13 160.4(2) . 2_765 ?
C19 Ag4 Ag3 51.93(13) . . ?
C13 Ag4 Ag3 147.52(14) 2_765 . ?
C19 Ag4 Ag3 148.40(14) . 2_765 ?
C13 Ag4 Ag3 50.91(14) 2_765 2_765 ?
Ag3 Ag4 Ag3 96.62(2) . 2_765 ?
C5 C4 F1 118.9(5) . . ?
C5 C4 C3 122.7(5) . . ?
F1 C4 C3 118.5(5) . . ?
C4 C5 C6 118.8(5) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C5 C6 C1 121.4(5) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 116.4(5) . . ?
C12 C7 Ag1 109.0(4) . . ?
C8 C7 Ag1 121.0(4) . . ?
C12 C7 Ag2 116.2(4) . . ?
C8 C7 Ag2 110.6(4) . . ?
Ag1 C7 Ag2 78.20(17) . . ?
C9 C8 C7 121.4(6) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C8 118.6(6) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C9 C10 F2 118.6(6) . . ?
C9 C10 C11 123.9(6) . . ?
F2 C10 C11 117.5(6) . . ?
C10 C11 C12 116.7(6) . . ?
C10 C11 H11 121.7 . . ?
C12 C11 H11 121.7 . . ?
C7 C12 C11 123.0(5) . . ?
C7 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
C14 C13 C18 116.0(5) . . ?
C14 C13 Ag3 118.6(4) . . ?
C18 C13 Ag3 117.8(4) . . ?
C14 C13 Ag4 106.8(4) . 2_765 ?
C18 C13 Ag4 112.4(4) . 2_765 ?
Ag3 C13 Ag4 77.67(18) . 2_765 ?
C15 C14 C13 123.3(5) . . ?
C15 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
C16 C15 C14 118.2(6) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 H15 120.9 . . ?
F3 C16 C15 118.4(6) . . ?
F3 C16 C17 119.3(6) . . ?
C15 C16 C17 122.3(5) . . ?
C16 C17 C18 118.3(6) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
C17 C18 C13 122.0(6) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C20 C19 C24 116.2(5) . . ?
C20 C19 Ag4 115.7(4) . . ?
C24 C19 Ag4 114.2(4) . . ?
C20 C19 Ag3 115.1(4) . . ?
C24 C19 Ag3 112.8(4) . . ?
Ag4 C19 Ag3 76.95(18) . . ?
C21 C20 C19 123.3(5) . . ?
C21 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
C22 C21 C20 117.0(5) . . ?
C22 C21 H21 121.5 . . ?
C20 C21 H21 121.5 . . ?
F4 C22 C23 119.3(5) . . ?
F4 C22 C21 117.4(5) . . ?
C23 C22 C21 123.3(5) . . ?
C22 C23 C24 117.9(5) . . ?
C22 C23 H23 121.0 . . ?
C24 C23 H23 121.0 . . ?
C23 C24 C19 122.2(5) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?

_refine_diff_density_max         0.818
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.166



####################################################################### 
# 
# 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_sad_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2291153'
loop_
_audit_author_name
_audit_author_address
'Marian Hebenbrock'
;University of Muenster
Germany
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2023-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H68 B2 F2 K2 N2 O8'
_chemical_formula_weight         914.84

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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5750(3)
_cell_length_b                   11.8169(4)
_cell_length_c                   11.8374(4)
_cell_angle_alpha                81.6880(10)
_cell_angle_beta                 67.1400(10)
_cell_angle_gamma                81.8510(10)
_cell_volume                     1215.81(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    102(2)
_cell_measurement_reflns_used    9885
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      30.03

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_F_000             488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.254
_shelx_estimated_absorpt_T_min   0.910
_shelx_estimated_absorpt_T_max   0.963
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7032
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      102(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  
'Bruker Venture D8 mit Photon III CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20874
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.372
_diffrn_reflns_theta_max         30.036
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             7033
_reflns_number_gt                6689
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX3 2019/0'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SAINT+'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0516P)²+0.4393P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7033
_refine_ls_number_parameters     285
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0969
_refine_ls_wR_factor_gt          0.0957
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
F1 F 1.17512(8) 0.94692(6) 0.28524(7) 0.02733(15) Uani 1 1 d . . . . .
O1 O 0.59158(8) 0.67334(6) 0.37687(7) 0.01807(14) Uani 1 1 d . . . . .
N1 N 0.41124(9) 0.60235(7) 0.26051(7) 0.01507(15) Uani 1 1 d . . . . .
C1 C 0.25660(10) 0.58926(8) 0.35223(9) 0.01557(17) Uani 1 1 d . . . . .
H00K H 0.182228 0.613815 0.312171 0.019 Uiso 1 1 calc R U . . .
H00L H 0.234991 0.640033 0.417805 0.019 Uiso 1 1 calc R U . . .
B1 B 0.64958(12) 0.68472(9) 0.47284(9) 0.01413(17) Uani 1 1 d . . . . .
O2 O 0.68386(7) 0.56130(6) 0.51011(6) 0.01348(13) Uani 1 1 d . . . . .
C2 C 0.45436(11) 0.72017(8) 0.24362(9) 0.01703(17) Uani 1 1 d . . . . .
H00I H 0.372842 0.774523 0.229265 0.020 Uiso 1 1 calc R U . . .
H00J H 0.548421 0.728086 0.169152 0.020 Uiso 1 1 calc R U . . .
O3 O 0.53059(8) 0.73006(6) 0.58536(6) 0.01639(13) Uani 1 1 d . . . . .
C3 C 0.48105(11) 0.75321(8) 0.35257(9) 0.01596(17) Uani 1 1 d . . . . .
H00C H 0.516046 0.831149 0.333560 0.019 Uiso 1 1 calc R U . . .
H00D H 0.384886 0.753880 0.425877 0.019 Uiso 1 1 calc R U . . .
O4 O 0.91790(9) 0.41015(7) 0.19404(8) 0.02514(17) Uani 1 1 d . . . . .
C4 C 0.76364(10) 0.53396(8) 0.59005(9) 0.01481(16) Uani 1 1 d . . . . .
H4 H 0.724580 0.586933 0.655461 0.018 Uiso 1 1 calc R U . . .
H00B H 0.873138 0.543034 0.543546 0.018 Uiso 1 1 calc R U . . .
C5 C 0.42457(14) 0.56892(11) 0.14242(10) 0.0256(2) Uani 1 1 d . . . . .
H00T H 0.354698 0.620318 0.111557 0.038 Uiso 1 1 calc R U . . .
H00U H 0.398666 0.489703 0.153347 0.038 Uiso 1 1 calc R U . . .
H00V H 0.529275 0.574310 0.083108 0.038 Uiso 1 1 calc R U . . .
C6 C 0.79933(11) 0.75677(8) 0.41970(8) 0.01479(16) Uani 1 1 d . . . . .
C7 C 0.85178(12) 0.80194(9) 0.49784(9) 0.01955(18) Uani 1 1 d . . . . .
H00M H 0.798289 0.789356 0.584313 0.023 Uiso 1 1 calc R U . . .
C8 C 0.97834(12) 0.86424(9) 0.45458(10) 0.02111(19) Uani 1 1 d . . . . .
H00N H 1.011686 0.893042 0.509805 0.025 Uiso 1 1 calc R U . . .
C9 C 1.05371(11) 0.88276(8) 0.32890(10) 0.01936(18) Uani 1 1 d . . . . .
C10 C 1.01131(12) 0.83904(9) 0.24665(9) 0.02052(19) Uani 1 1 d . . . . .
H00O H 1.066783 0.851349 0.160443 0.025 Uiso 1 1 calc R U . . .
C12 C 0.48412(12) 0.84840(8) 0.59223(9) 0.01841(18) Uani 1 1 d . . . . .
H00F H 0.397318 0.868507 0.565071 0.022 Uiso 1 1 calc R U . . .
H00G H 0.568805 0.893097 0.535975 0.022 Uiso 1 1 calc R U . . .
C11 C 0.88434(11) 0.77601(8) 0.29339(9) 0.01729(17) Uani 1 1 d . . . . .
H00E H 0.854630 0.745052 0.237280 0.021 Uiso 1 1 calc R U . . .
C15 C 0.27973(14) 1.00059(9) 0.88225(10) 0.0257(2) Uani 1 1 d . . . . .
H00S H 0.200267 1.060051 0.910288 0.031 Uiso 1 1 calc R U . . .
C14 C 0.32156(12) 0.96724(8) 0.76440(9) 0.02019(19) Uani 1 1 d . . . . .
H00H H 0.270427 1.004355 0.712611 0.024 Uiso 1 1 calc R U . . .
C13 C 0.43747(11) 0.88014(8) 0.72177(9) 0.01650(17) Uani 1 1 d . . . . .
C18 C 0.50964(12) 0.82608(9) 0.79988(9) 0.02179(19) Uani 1 1 d . . . . .
H00P H 0.587868 0.765623 0.772699 0.026 Uiso 1 1 calc R U . . .
C19 C 1.00064(15) 0.44585(14) 0.25732(13) 0.0360(3) Uani 1 1 d . . . . .
H012 H 1.022349 0.380966 0.311621 0.043 Uiso 1 1 calc R U . . .
H013 H 0.940144 0.508271 0.306570 0.043 Uiso 1 1 calc R U . . .
H014 H 1.096557 0.472960 0.197457 0.043 Uiso 1 1 calc R U . . .
C20 C 0.98544(13) 0.31085(10) 0.12722(10) 0.0239(2) Uani 1 1 d . . . . .
C21 C 0.87639(17) 0.30059(12) 0.06342(12) 0.0348(3) Uani 1 1 d . . . . .
H00Z H 0.911583 0.233425 0.016316 0.052 Uiso 1 1 calc R U . . .
H010 H 0.873912 0.369998 0.007561 0.052 Uiso 1 1 calc R U . . .
H011 H 0.773956 0.291772 0.125593 0.052 Uiso 1 1 calc R U . . .
K1 K 0.62274(2) 0.45577(2) 0.34558(2) 0.01534(6) Uani 1 1 d . . . . .
C22 C 0.99085(19) 0.20389(12) 0.21437(15) 0.0405(3) Uani 1 1 d . . . . .
H017 H 1.022249 0.136052 0.168354 0.061 Uiso 1 1 calc R U . . .
H015 H 0.889697 0.196566 0.279067 0.061 Uiso 1 1 calc R U . . .
H016 H 1.064104 0.210091 0.251880 0.061 Uiso 1 1 calc R U . . .
C23 C 1.14262(15) 0.33136(13) 0.03160(13) 0.0359(3) Uani 1 1 d . . . . .
H00W H 1.180773 0.267566 -0.020278 0.054 Uiso 1 1 calc R U . . .
H00X H 1.211987 0.336445 0.073153 0.054 Uiso 1 1 calc R U . . .
H00Y H 1.136545 0.403322 -0.019791 0.054 Uiso 1 1 calc R U . . .
C17 C 0.46821(14) 0.85983(11) 0.91735(10) 0.0262(2) Uani 1 1 d . . . . .
H00Q H 0.518809 0.822629 0.969489 0.031 Uiso 1 1 calc R U . . .
C16 C 0.35355(14) 0.94738(10) 0.95878(10) 0.0270(2) Uani 1 1 d . . . . .
H00R H 0.325853 0.970678 1.038783 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C9 1.3651(11) . ?
O1 C3 1.4030(11) . ?
O1 B1 1.4739(12) . ?
O1 K1 2.6093(7) . ?
O1 K1 3.3960(8) 2_666 ?
N1 C5 1.4605(12) . ?
N1 C1 1.4706(12) . ?
N1 C2 1.4721(12) . ?
N1 K1 2.8638(8) . ?
C1 C4 1.5212(13) 2_666 ?
C1 H00K 0.9900 . ?
C1 H00L 0.9900 . ?
B1 O3 1.4878(12) . ?
B1 O2 1.4900(12) . ?
B1 C6 1.6330(14) . ?
B1 K1 3.1648(11) 2_666 ?
B1 K1 3.3662(10) . ?
O2 C4 1.4096(10) . ?
O2 K1 2.7359(7) . ?
O2 K1 2.7837(7) 2_666 ?
C2 C3 1.5202(13) . ?
C2 H00I 0.9900 . ?
C2 H00J 0.9900 . ?
O3 C12 1.4102(11) . ?
O3 K1 2.6661(7) 2_666 ?
C3 H00C 0.9900 . ?
C3 H00D 0.9900 . ?
O4 C19 1.4190(13) . ?
O4 C20 1.4410(13) . ?
O4 K1 2.7211(8) . ?
C4 K1 3.4629(9) 2_666 ?
C4 H4 0.9900 . ?
C4 H00B 0.9900 . ?
C5 H00T 0.9800 . ?
C5 H00U 0.9800 . ?
C5 H00V 0.9800 . ?
C6 C11 1.3994(13) . ?
C6 C7 1.4044(13) . ?
C7 C8 1.3909(14) . ?
C7 H00M 0.9500 . ?
C8 C9 1.3778(14) . ?
C8 H00N 0.9500 . ?
C9 C10 1.3753(15) . ?
C10 C11 1.3978(14) . ?
C10 H00O 0.9500 . ?
C12 C13 1.5094(13) . ?
C12 H00F 0.9900 . ?
C12 H00G 0.9900 . ?
C11 H00E 0.9500 . ?
C15 C16 1.3864(17) . ?
C15 C14 1.3935(14) . ?
C15 H00S 0.9500 . ?
C14 C13 1.3918(13) . ?
C14 H00H 0.9500 . ?
C13 C18 1.3931(14) . ?
C18 C17 1.3917(15) . ?
C18 H00P 0.9500 . ?
C19 K1 3.3430(13) . ?
C19 H012 0.9800 . ?
C19 H013 0.9800 . ?
C19 H014 0.9800 . ?
C20 C23 1.5184(16) . ?
C20 C22 1.5200(18) . ?
C20 C21 1.5331(17) . ?
C21 H00Z 0.9800 . ?
C21 H010 0.9800 . ?
C21 H011 0.9800 . ?
K1 K1 3.7034(4) 2_666 ?
C22 H017 0.9800 . ?
C22 H015 0.9800 . ?
C22 H016 0.9800 . ?
C23 H00W 0.9800 . ?
C23 H00X 0.9800 . ?
C23 H00Y 0.9800 . ?
C17 C16 1.3866(17) . ?
C17 H00Q 0.9500 . ?
C16 H00R 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 O1 B1 122.57(7) . . ?
C3 O1 K1 123.77(5) . . ?
B1 O1 K1 107.79(5) . . ?
C3 O1 K1 100.50(5) . 2_666 ?
B1 O1 K1 68.37(5) . 2_666 ?
K1 O1 K1 74.867(19) . 2_666 ?
C5 N1 C1 110.10(8) . . ?
C5 N1 C2 109.56(8) . . ?
C1 N1 C2 112.63(7) . . ?
C5 N1 K1 109.08(6) . . ?
C1 N1 K1 108.52(5) . . ?
C2 N1 K1 106.84(5) . . ?
N1 C1 C4 112.20(7) . 2_666 ?
N1 C1 H00K 109.2 . . ?
C4 C1 H00K 109.2 2_666 . ?
N1 C1 H00L 109.2 . . ?
C4 C1 H00L 109.2 2_666 . ?
H00K C1 H00L 107.9 . . ?
O1 B1 O3 113.41(8) . . ?
O1 B1 O2 100.17(7) . . ?
O3 B1 O2 105.15(7) . . ?
O1 B1 C6 112.35(8) . . ?
O3 B1 C6 111.95(7) . . ?
O2 B1 C6 113.06(7) . . ?
O1 B1 K1 85.97(5) . 2_666 ?
O3 B1 K1 57.05(4) . 2_666 ?
O2 B1 K1 61.59(4) . 2_666 ?
C6 B1 K1 161.68(6) . 2_666 ?
O1 B1 K1 47.57(4) . . ?
O3 B1 K1 124.68(6) . . ?
O2 B1 K1 52.79(4) . . ?
C6 B1 K1 123.34(6) . . ?
K1 B1 K1 69.01(2) 2_666 . ?
C4 O2 B1 118.37(7) . . ?
C4 O2 K1 138.05(5) . . ?
B1 O2 K1 101.50(5) . . ?
C4 O2 K1 106.71(5) . 2_666 ?
B1 O2 K1 90.32(5) . 2_666 ?
K1 O2 K1 84.275(19) . 2_666 ?
N1 C2 C3 113.71(7) . . ?
N1 C2 H00I 108.8 . . ?
C3 C2 H00I 108.8 . . ?
N1 C2 H00J 108.8 . . ?
C3 C2 H00J 108.8 . . ?
H00I C2 H00J 107.7 . . ?
C12 O3 B1 122.08(7) . . ?
C12 O3 K1 132.74(6) . 2_666 ?
B1 O3 K1 95.02(5) . 2_666 ?
O1 C3 C2 109.06(8) . . ?
O1 C3 H00C 109.9 . . ?
C2 C3 H00C 109.9 . . ?
O1 C3 H00D 109.9 . . ?
C2 C3 H00D 109.9 . . ?
H00C C3 H00D 108.3 . . ?
C19 O4 C20 116.08(9) . . ?
C19 O4 K1 103.16(7) . . ?
C20 O4 K1 127.86(6) . . ?
O2 C4 C1 109.64(7) . 2_666 ?
O2 C4 K1 50.35(4) . 2_666 ?
C1 C4 K1 83.10(5) 2_666 2_666 ?
O2 C4 H4 109.7 . . ?
C1 C4 H4 109.7 2_666 . ?
K1 C4 H4 80.4 2_666 . ?
O2 C4 H00B 109.7 . . ?
C1 C4 H00B 109.7 2_666 . ?
K1 C4 H00B 159.9 2_666 . ?
H4 C4 H00B 108.2 . . ?
N1 C5 H00T 109.5 . . ?
N1 C5 H00U 109.5 . . ?
H00T C5 H00U 109.5 . . ?
N1 C5 H00V 109.5 . . ?
H00T C5 H00V 109.5 . . ?
H00U C5 H00V 109.5 . . ?
C11 C6 C7 115.92(9) . . ?
C11 C6 B1 121.95(8) . . ?
C7 C6 B1 122.13(8) . . ?
C8 C7 C6 123.09(9) . . ?
C8 C7 H00M 118.5 . . ?
C6 C7 H00M 118.5 . . ?
C9 C8 C7 117.74(9) . . ?
C9 C8 H00N 121.1 . . ?
C7 C8 H00N 121.1 . . ?
F1 C9 C10 119.19(9) . . ?
F1 C9 C8 118.28(9) . . ?
C10 C9 C8 122.53(9) . . ?
C9 C10 C11 118.17(9) . . ?
C9 C10 H00O 120.9 . . ?
C11 C10 H00O 120.9 . . ?
O3 C12 C13 111.23(8) . . ?
O3 C12 H00F 109.4 . . ?
C13 C12 H00F 109.4 . . ?
O3 C12 H00G 109.4 . . ?
C13 C12 H00G 109.4 . . ?
H00F C12 H00G 108.0 . . ?
C10 C11 C6 122.50(9) . . ?
C10 C11 H00E 118.7 . . ?
C6 C11 H00E 118.7 . . ?
C16 C15 C14 120.31(10) . . ?
C16 C15 H00S 119.8 . . ?
C14 C15 H00S 119.8 . . ?
C13 C14 C15 120.69(10) . . ?
C13 C14 H00H 119.7 . . ?
C15 C14 H00H 119.7 . . ?
C14 C13 C18 118.62(9) . . ?
C14 C13 C12 119.62(9) . . ?
C18 C13 C12 121.75(9) . . ?
C17 C18 C13 120.62(10) . . ?
C17 C18 H00P 119.7 . . ?
C13 C18 H00P 119.7 . . ?
O4 C19 K1 52.43(5) . . ?
O4 C19 H012 109.5 . . ?
K1 C19 H012 102.3 . . ?
O4 C19 H013 109.5 . . ?
K1 C19 H013 63.3 . . ?
H012 C19 H013 109.5 . . ?
O4 C19 H014 109.5 . . ?
K1 C19 H014 147.7 . . ?
H012 C19 H014 109.5 . . ?
H013 C19 H014 109.5 . . ?
O4 C20 C23 110.70(9) . . ?
O4 C20 C22 111.11(10) . . ?
C23 C20 C22 111.36(11) . . ?
O4 C20 C21 103.09(9) . . ?
C23 C20 C21 110.02(10) . . ?
C22 C20 C21 110.28(10) . . ?
C20 C21 H00Z 109.5 . . ?
C20 C21 H010 109.5 . . ?
H00Z C21 H010 109.5 . . ?
C20 C21 H011 109.5 . . ?
H00Z C21 H011 109.5 . . ?
H010 C21 H011 109.5 . . ?
O1 K1 O3 141.80(2) . 2_666 ?
O1 K1 O4 105.71(3) . . ?
O3 K1 O4 112.47(2) 2_666 . ?
O1 K1 O2 50.27(2) . . ?
O3 K1 O2 121.79(2) 2_666 . ?
O4 K1 O2 96.18(2) . . ?
O1 K1 O2 90.53(2) . 2_666 ?
O3 K1 O2 51.38(2) 2_666 2_666 ?
O4 K1 O2 163.65(2) . 2_666 ?
O2 K1 O2 95.725(19) . 2_666 ?
O1 K1 N1 62.79(2) . . ?
O3 K1 N1 96.98(2) 2_666 . ?
O4 K1 N1 121.46(3) . . ?
O2 K1 N1 109.81(2) . . ?
O2 K1 N1 64.16(2) 2_666 . ?
O1 K1 B1 114.99(3) . 2_666 ?
O3 K1 B1 27.93(2) 2_666 2_666 ?
O4 K1 B1 137.57(3) . 2_666 ?
O2 K1 B1 100.46(2) . 2_666 ?
O2 K1 B1 28.09(2) 2_666 2_666 ?
N1 K1 B1 88.83(3) . 2_666 ?
O1 K1 C19 91.30(3) . . ?
O3 K1 C19 123.72(3) 2_666 . ?
O4 K1 C19 24.41(3) . . ?
O2 K1 C19 71.88(3) . . ?
O2 K1 C19 161.87(3) 2_666 . ?
N1 K1 C19 131.91(3) . . ?
B1 K1 C19 139.13(3) 2_666 . ?
O1 K1 B1 24.64(2) . . ?
O3 K1 B1 137.97(2) 2_666 . ?
O4 K1 B1 100.79(3) . . ?
O2 K1 B1 25.71(2) . . ?
O2 K1 B1 94.79(2) 2_666 . ?
N1 K1 B1 86.23(2) . . ?
B1 K1 B1 110.99(2) 2_666 . ?
C19 K1 B1 79.76(3) . . ?
O1 K1 O1 105.133(19) . 2_666 ?
O3 K1 O1 46.294(19) 2_666 2_666 ?
O4 K1 O1 131.71(2) . 2_666 ?
O2 K1 O1 76.539(19) . 2_666 ?
O2 K1 O1 41.714(18) 2_666 2_666 ?
N1 K1 O1 105.50(2) . 2_666 ?
B1 K1 O1 25.65(2) 2_666 2_666 ?
C19 K1 O1 120.73(3) . 2_666 ?
B1 K1 O1 92.35(2) . 2_666 ?
O1 K1 C4 89.91(2) . 2_666 ?
O3 K1 C4 56.64(2) 2_666 2_666 ?
O4 K1 C4 150.89(2) . 2_666 ?
O2 K1 C4 112.51(2) . 2_666 ?
O2 K1 C4 22.95(2) 2_666 2_666 ?
N1 K1 C4 45.00(2) . 2_666 ?
B1 K1 C4 43.86(2) 2_666 2_666 ?
C19 K1 C4 174.96(3) . 2_666 ?
B1 K1 C4 103.16(2) . 2_666 ?
O1 K1 C4 63.565(19) 2_666 2_666 ?
O1 K1 K1 62.278(18) . 2_666 ?
O3 K1 K1 85.415(16) 2_666 2_666 ?
O4 K1 K1 143.211(19) . 2_666 ?
O2 K1 K1 48.410(15) . 2_666 ?
O2 K1 K1 47.315(14) 2_666 2_666 ?
N1 K1 K1 85.573(17) . 2_666 ?
B1 K1 K1 58.063(19) 2_666 2_666 ?
C19 K1 K1 118.98(2) . 2_666 ?
B1 K1 K1 52.927(19) . 2_666 ?
O1 K1 K1 42.855(12) 2_666 2_666 ?
C4 K1 K1 65.839(16) 2_666 2_666 ?
C20 C22 H017 109.5 . . ?
C20 C22 H015 109.5 . . ?
H017 C22 H015 109.5 . . ?
C20 C22 H016 109.5 . . ?
H017 C22 H016 109.5 . . ?
H015 C22 H016 109.5 . . ?
C20 C23 H00W 109.5 . . ?
C20 C23 H00X 109.5 . . ?
H00W C23 H00X 109.5 . . ?
C20 C23 H00Y 109.5 . . ?
H00W C23 H00Y 109.5 . . ?
H00X C23 H00Y 109.5 . . ?
C16 C17 C18 120.43(10) . . ?
C16 C17 H00Q 119.8 . . ?
C18 C17 H00Q 119.8 . . ?
C15 C16 C17 119.32(10) . . ?
C15 C16 H00R 120.3 . . ?
C17 C16 H00R 120.3 . . ?

_refine_diff_density_max         0.890
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.058

####################################################################### 
# 
# 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_platon_sq_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2291152'
loop_
_audit_author_name
_audit_author_address
'Marian Hebenbrock'
;University of Muenster
Germany
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2023-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 Ag4'
_chemical_formula_sum            'C24 H20 Ag4'
_chemical_formula_weight         739.88

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9136(6)
_cell_length_b                   10.3277(3)
_cell_length_c                   20.6655(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.4960(10)
_cell_angle_gamma                90
_cell_volume                     4655.5(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9902
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      28.28

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.111
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.321
_shelx_estimated_absorpt_T_min   0.732
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4965
_exptl_absorpt_correction_T_max  0.5633
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33195
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.359
_diffrn_reflns_theta_max         28.311
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5779
_reflns_number_gt                5629
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 1.000 0.052 0.250 140 39 ' '
2 1.000 -0.053 0.750 140 39 ' '
3 0.500 0.447 0.750 140 39 ' '
4 0.500 0.552 0.250 140 39 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;The unit cell contains 1 tetrahydrofuran molecules which have been treated
as a diffuse contribution to the overall scattering without specific atom
positions by SQUEEZE/PLATON
;
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0178P)²+20.1499P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     intrinsic
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5779
_refine_ls_number_parameters     308
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0179
_refine_ls_wR_factor_ref         0.0481
_refine_ls_wR_factor_gt          0.0477
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag2 Ag 0.43114(2) 0.91917(2) 0.44008(2) 0.01816(4) Uani 1 1 d . . . . .
Ag1 Ag 0.51590(2) 0.84093(2) 0.53686(2) 0.01921(5) Uani 1 1 d . . . . .
Ag3 Ag 0.29641(2) 0.88805(2) 0.46566(2) 0.01618(4) Uani 1 1 d . . . . .
Ag4 Ag 0.23226(2) 0.67702(2) 0.41372(2) 0.01571(4) Uani 1 1 d . . . . .
C1 C 0.44510(11) 0.7234(2) 0.48122(12) 0.0196(5) Uani 1 1 d . . . . .
C2 C 0.46474(12) 0.6360(2) 0.43538(13) 0.0214(5) Uani 1 1 d . . . . .
H2 H 0.494701 0.663191 0.407955 0.026 Uiso 1 1 calc R U . . .
C3 C 0.44152(13) 0.5107(2) 0.42902(13) 0.0243(5) Uani 1 1 d . . . . .
H3 H 0.455627 0.453617 0.397602 0.029 Uiso 1 1 calc R U . . .
C4 C 0.39790(12) 0.4694(3) 0.46850(15) 0.0274(6) Uani 1 1 d . . . . .
H4 H 0.381744 0.384183 0.463985 0.033 Uiso 1 1 calc R U . . .
C5 C 0.37788(12) 0.5518(3) 0.51435(15) 0.0267(5) Uani 1 1 d . . . . .
H5 H 0.348029 0.523388 0.541626 0.032 Uiso 1 1 calc R U . . .
C6 C 0.40124(11) 0.6758(2) 0.52066(13) 0.0210(5) Uani 1 1 d . . . . .
H6 H 0.387171 0.731115 0.552840 0.025 Uiso 1 1 calc R U . . .
C7 C 0.41699(11) 1.0949(2) 0.38359(12) 0.0203(5) Uani 1 1 d . . . . .
C8 C 0.36252(11) 1.1662(2) 0.38501(13) 0.0212(5) Uani 1 1 d . . . . .
H8 H 0.342243 1.165929 0.423634 0.025 Uiso 1 1 calc R U . . .
C9 C 0.33725(13) 1.2372(3) 0.33190(15) 0.0296(6) Uani 1 1 d . . . . .
H9 H 0.300855 1.285940 0.334820 0.036 Uiso 1 1 calc R U . . .
C10 C 0.36535(15) 1.2364(3) 0.27485(15) 0.0364(7) Uani 1 1 d . . . . .
H10 H 0.348201 1.284465 0.238334 0.044 Uiso 1 1 calc R U . . .
C11 C 0.41850(15) 1.1657(3) 0.27095(15) 0.0354(7) Uani 1 1 d . . . . .
H11 H 0.437427 1.163964 0.231476 0.043 Uiso 1 1 calc R U . . .
C12 C 0.44415(13) 1.0973(3) 0.32451(14) 0.0266(5) Uani 1 1 d . . . . .
H12 H 0.481123 1.050728 0.321290 0.032 Uiso 1 1 calc R U . . .
C13A C 0.2763(5) 0.8295(11) 0.3639(5) 0.0178(13) Uani 0.69(3) 1 d D U P A 1
C14A C 0.3259(3) 0.7808(9) 0.3322(4) 0.0213(13) Uani 0.69(3) 1 d D U P A 1
H14A H 0.351197 0.715032 0.352570 0.026 Uiso 0.69(3) 1 calc R U P A 1
C15A C 0.3383(4) 0.8278(10) 0.2713(3) 0.0292(16) Uani 0.69(3) 1 d D U P A 1
H15A H 0.371479 0.792730 0.250555 0.035 Uiso 0.69(3) 1 calc R U P A 1
C16A C 0.3031(5) 0.9238(10) 0.2416(2) 0.0324(18) Uani 0.69(3) 1 d D U P A 1
H16A H 0.312256 0.955539 0.200479 0.039 Uiso 0.69(3) 1 calc R U P A 1
C17A C 0.2545(5) 0.9753(7) 0.2707(3) 0.0308(16) Uani 0.69(3) 1 d D U P A 1
H17A H 0.230483 1.042738 0.249957 0.037 Uiso 0.69(3) 1 calc R U P A 1
C18A C 0.2407(4) 0.9274(8) 0.3312(4) 0.0228(13) Uani 0.69(3) 1 d D U P A 1
H18A H 0.206566 0.961837 0.350536 0.027 Uiso 0.69(3) 1 calc R U P A 1
C13B C 0.2681(12) 0.842(3) 0.3623(10) 0.021(3) Uani 0.31(3) 1 d D U P A 2
C14B C 0.3156(10) 0.8096(19) 0.3239(8) 0.024(3) Uani 0.31(3) 1 d D U P A 2
H14B H 0.344801 0.745447 0.338513 0.029 Uiso 0.31(3) 1 calc R U P A 2
C15B C 0.3201(10) 0.872(2) 0.2640(6) 0.027(3) Uani 0.31(3) 1 d D U P A 2
H15B H 0.352124 0.849149 0.238227 0.032 Uiso 0.31(3) 1 calc R U P A 2
C16B C 0.2792(11) 0.9633(18) 0.2433(6) 0.030(3) Uani 0.31(3) 1 d D U P A 2
H16B H 0.282694 1.004317 0.202686 0.036 Uiso 0.31(3) 1 calc R U P A 2
C17B C 0.2321(11) 0.9992(16) 0.2798(7) 0.031(3) Uani 0.31(3) 1 d D U P A 2
H17B H 0.204345 1.065716 0.264705 0.037 Uiso 0.31(3) 1 calc R U P A 2
C18B C 0.2256(10) 0.937(2) 0.3390(8) 0.025(3) Uani 0.31(3) 1 d D U P A 2
H18B H 0.192419 0.958791 0.363370 0.030 Uiso 0.31(3) 1 calc R U P A 2
C19 C 0.18532(11) 0.5023(2) 0.44238(11) 0.0167(4) Uani 1 1 d . . . . .
C20 C 0.22052(11) 0.3877(2) 0.44262(11) 0.0178(4) Uani 1 1 d . . . . .
H20 H 0.262756 0.391202 0.457990 0.021 Uiso 1 1 calc R U . . .
C21 C 0.19543(12) 0.2700(2) 0.42115(12) 0.0209(5) Uani 1 1 d . . . . .
H21 H 0.220562 0.194932 0.421771 0.025 Uiso 1 1 calc R U . . .
C22 C 0.13399(12) 0.2616(2) 0.39886(13) 0.0233(5) Uani 1 1 d . . . . .
H22 H 0.116680 0.180786 0.384961 0.028 Uiso 1 1 calc R U . . .
C23 C 0.09789(12) 0.3718(2) 0.39693(12) 0.0211(5) Uani 1 1 d . . . . .
H23 H 0.055814 0.366991 0.381048 0.025 Uiso 1 1 calc R U . . .
C24 C 0.12324(11) 0.4897(2) 0.41827(11) 0.0180(4) Uani 1 1 d . . . . .
H24 H 0.097780 0.564330 0.416521 0.022 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 C7 2.164(2) . ?
Ag2 C1 2.203(2) . ?
Ag2 Ag1 2.7187(3) . ?
Ag2 Ag1 2.7580(3) 5_676 ?
Ag2 Ag3 3.0658(3) . ?
Ag1 C7 2.200(3) 5_676 ?
Ag1 C1 2.205(2) . ?
Ag3 C13A 2.192(11) . ?
Ag3 C19 2.216(2) 7_566 ?
Ag3 C13B 2.22(3) . ?
Ag3 Ag4 2.7128(2) 7_566 ?
Ag3 Ag4 2.7548(2) . ?
Ag4 C13A 2.159(10) . ?
Ag4 C19 2.187(2) . ?
Ag4 C13B 2.19(2) . ?
C1 C2 1.406(3) . ?
C1 C6 1.407(3) . ?
C2 C3 1.392(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.406(3) . ?
C7 C12 1.409(4) . ?
C8 C9 1.390(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13A C18A 1.410(7) . ?
C13A C14A 1.414(6) . ?
C14A C15A 1.399(6) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.365(8) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.380(8) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.404(6) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C13B C18B 1.407(14) . ?
C13B C14B 1.408(14) . ?
C14B C15B 1.405(13) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.344(14) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.386(14) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.402(12) . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
C19 C24 1.409(3) . ?
C19 C20 1.412(3) . ?
C20 C21 1.389(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.383(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Ag2 C1 170.11(9) . . ?
C7 Ag2 Ag1 134.31(7) . . ?
C1 Ag2 Ag1 51.94(6) . . ?
C7 Ag2 Ag1 51.39(7) . 5_676 ?
C1 Ag2 Ag1 135.81(7) . 5_676 ?
Ag1 Ag2 Ag1 83.875(8) . 5_676 ?
C7 Ag2 Ag3 95.19(7) . . ?
C1 Ag2 Ag3 86.43(6) . . ?
Ag1 Ag2 Ag3 116.316(8) . . ?
Ag1 Ag2 Ag3 117.428(8) 5_676 . ?
C7 Ag1 C1 160.41(9) 5_676 . ?
C7 Ag1 Ag2 145.16(6) 5_676 . ?
C1 Ag1 Ag2 51.90(6) . . ?
C7 Ag1 Ag2 50.22(6) 5_676 5_676 ?
C1 Ag1 Ag2 148.02(6) . 5_676 ?
Ag2 Ag1 Ag2 96.125(8) . 5_676 ?
C13A Ag3 C19 165.3(3) . 7_566 ?
C19 Ag3 C13B 161.2(6) 7_566 . ?
C13A Ag3 Ag4 140.4(3) . 7_566 ?
C19 Ag3 Ag4 51.48(6) 7_566 7_566 ?
C13A Ag3 Ag4 50.2(3) . . ?
C19 Ag3 Ag4 141.46(6) 7_566 . ?
C13B Ag3 Ag4 50.9(7) . . ?
Ag4 Ag3 Ag4 90.439(7) 7_566 . ?
C13A Ag3 Ag2 88.4(3) . . ?
C19 Ag3 Ag2 89.80(6) 7_566 . ?
C13B Ag3 Ag2 92.4(6) . . ?
Ag4 Ag3 Ag2 119.738(8) 7_566 . ?
Ag4 Ag3 Ag2 118.659(8) . . ?
C13A Ag4 C19 167.0(3) . . ?
C19 Ag4 C13B 166.4(8) . . ?
C13A Ag4 Ag3 140.6(3) . 7_566 ?
C19 Ag4 Ag3 52.44(6) . 7_566 ?
C13A Ag4 Ag3 51.3(3) . . ?
C19 Ag4 Ag3 141.54(6) . . ?
C13B Ag4 Ag3 51.8(7) . . ?
Ag3 Ag4 Ag3 89.560(7) 7_566 . ?
C2 C1 C6 115.9(2) . . ?
C2 C1 Ag2 111.68(18) . . ?
C6 C1 Ag2 117.82(17) . . ?
C2 C1 Ag1 117.36(17) . . ?
C6 C1 Ag1 112.07(18) . . ?
Ag2 C1 Ag1 76.16(8) . . ?
C3 C2 C1 121.9(2) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C4 C3 C2 119.9(2) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.0(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 122.5(2) . . ?
C5 C6 H6 118.8 . . ?
C1 C6 H6 118.8 . . ?
C8 C7 C12 116.0(2) . . ?
C8 C7 Ag2 120.43(18) . . ?
C12 C7 Ag2 115.58(18) . . ?
C8 C7 Ag1 109.56(18) . 5_676 ?
C12 C7 Ag1 109.55(18) . 5_676 ?
Ag2 C7 Ag1 78.39(8) . 5_676 ?
C9 C8 C7 122.3(3) . . ?
C9 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
C10 C9 C8 119.6(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 119.9(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.1(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 121.9(3) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C18A C13A C14A 116.6(5) . . ?
C18A C13A Ag4 120.0(6) . . ?
C14A C13A Ag4 111.1(5) . . ?
C18A C13A Ag3 108.3(6) . . ?
C14A C13A Ag3 116.7(5) . . ?
Ag4 C13A Ag3 78.6(3) . . ?
C15A C14A C13A 121.2(5) . . ?
C15A C14A H14A 119.4 . . ?
C13A C14A H14A 119.4 . . ?
C16A C15A C14A 120.4(5) . . ?
C16A C15A H15A 119.8 . . ?
C14A C15A H15A 119.8 . . ?
C15A C16A C17A 120.7(4) . . ?
C15A C16A H16A 119.6 . . ?
C17A C16A H16A 119.6 . . ?
C16A C17A C18A 119.6(5) . . ?
C16A C17A H17A 120.2 . . ?
C18A C17A H17A 120.2 . . ?
C17A C18A C13A 121.5(5) . . ?
C17A C18A H18A 119.2 . . ?
C13A C18A H18A 119.2 . . ?
C18B C13B C14B 118.3(13) . . ?
C18B C13B Ag4 116.8(14) . . ?
C14B C13B Ag4 114.1(11) . . ?
C18B C13B Ag3 107.1(13) . . ?
C14B C13B Ag3 116.1(12) . . ?
Ag4 C13B Ag3 77.3(6) . . ?
C15B C14B C13B 120.4(12) . . ?
C15B C14B H14B 119.8 . . ?
C13B C14B H14B 119.8 . . ?
C16B C15B C14B 120.1(11) . . ?
C16B C15B H15B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C15B C16B C17B 121.6(9) . . ?
C15B C16B H16B 119.2 . . ?
C17B C16B H16B 119.2 . . ?
C16B C17B C18B 119.7(11) . . ?
C16B C17B H17B 120.2 . . ?
C18B C17B H17B 120.2 . . ?
C17B C18B C13B 119.9(12) . . ?
C17B C18B H18B 120.0 . . ?
C13B C18B H18B 120.0 . . ?
C24 C19 C20 115.6(2) . . ?
C24 C19 Ag4 116.33(17) . . ?
C20 C19 Ag4 114.94(16) . . ?
C24 C19 Ag3 116.06(16) . 7_566 ?
C20 C19 Ag3 111.81(16) . 7_566 ?
Ag4 C19 Ag3 76.08(7) . 7_566 ?
C21 C20 C19 122.2(2) . . ?
C21 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.6(2) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.0(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 122.3(2) . . ?
C23 C24 H24 118.8 . . ?
C19 C24 H24 118.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.8(4) . . . . ?
Ag2 C1 C2 C3 -137.9(2) . . . . ?
Ag1 C1 C2 C3 136.9(2) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 -0.5(4) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C2 C1 C6 C5 -1.1(4) . . . . ?
Ag2 C1 C6 C5 135.0(2) . . . . ?
Ag1 C1 C6 C5 -139.5(2) . . . . ?
C12 C7 C8 C9 -1.2(4) . . . . ?
Ag2 C7 C8 C9 -148.8(2) . . . . ?
Ag1 C7 C8 C9 123.5(2) 5_676 . . . ?
C7 C8 C9 C10 1.4(4) . . . . ?
C8 C9 C10 C11 -0.3(5) . . . . ?
C9 C10 C11 C12 -1.1(5) . . . . ?
C10 C11 C12 C7 1.3(5) . . . . ?
C8 C7 C12 C11 -0.2(4) . . . . ?
Ag2 C7 C12 C11 149.0(3) . . . . ?
Ag1 C7 C12 C11 -124.9(3) 5_676 . . . ?
C18A C13A C14A C15A -0.3(8) . . . . ?
Ag4 C13A C14A C15A 142.1(7) . . . . ?
Ag3 C13A C14A C15A -130.4(7) . . . . ?
C13A C14A C15A C16A 1.1(7) . . . . ?
C14A C15A C16A C17A -0.6(8) . . . . ?
C15A C16A C17A C18A -0.7(8) . . . . ?
C16A C17A C18A C13A 1.4(10) . . . . ?
C14A C13A C18A C17A -0.9(11) . . . . ?
Ag4 C13A C18A C17A -139.9(7) . . . . ?
Ag3 C13A C18A C17A 133.0(7) . . . . ?
C18B C13B C14B C15B 0.3(17) . . . . ?
Ag4 C13B C14B C15B 143.6(16) . . . . ?
Ag3 C13B C14B C15B -129.2(15) . . . . ?
C13B C14B C15B C16B 0.5(14) . . . . ?
C14B C15B C16B C17B 0.3(18) . . . . ?
C15B C16B C17B C18B -2(2) . . . . ?
C16B C17B C18B C13B 2(2) . . . . ?
C14B C13B C18B C17B -2(3) . . . . ?
Ag4 C13B C18B C17B -144.0(17) . . . . ?
Ag3 C13B C18B C17B 131.8(16) . . . . ?
C24 C19 C20 C21 -0.6(3) . . . . ?
Ag4 C19 C20 C21 -140.6(2) . . . . ?
Ag3 C19 C20 C21 135.1(2) 7_566 . . . ?
C19 C20 C21 C22 -0.4(4) . . . . ?
C20 C21 C22 C23 1.2(4) . . . . ?
C21 C22 C23 C24 -1.0(4) . . . . ?
C22 C23 C24 C19 -0.1(4) . . . . ?
C20 C19 C24 C23 0.9(3) . . . . ?
Ag4 C19 C24 C23 140.3(2) . . . . ?
Ag3 C19 C24 C23 -133.0(2) 7_566 . . . ?

_refine_diff_density_max         1.027
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.091



####################################################################### 
# 
# 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_sad_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2291151'
loop_
_audit_author_name
_audit_author_address
'Marian Hebenbrock'
;University of Muenster
Germany
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2023-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '12 * (C6 H5 Ag)'
_chemical_formula_sum            'C72 H60 Ag12'
_chemical_formula_weight         2219.64

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9863(4)
_cell_length_b                   10.8351(4)
_cell_length_c                   15.2489(6)
_cell_angle_alpha                107.4100(10)
_cell_angle_beta                 93.1020(10)
_cell_angle_gamma                90.7320(10)
_cell_volume                     1571.35(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9336
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      27.45

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_F_000             1056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.690
_shelx_estimated_absorpt_T_min   0.608
_shelx_estimated_absorpt_T_max   0.930
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6521
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70328
_diffrn_reflns_av_unetI/netI     0.0107
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.971
_diffrn_reflns_theta_max         27.513
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             7113
_reflns_number_gt                6940
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0176P)²+2.8472P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     intrinsic
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7113
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0173
_refine_ls_wR_factor_ref         0.0440
_refine_ls_wR_factor_gt          0.0436
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.117
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.42573(2) 0.86441(2) 0.36691(2) 0.01690(4) Uani 1 1 d . . . . .
Ag2 Ag 0.54212(2) 0.82738(2) 0.52069(2) 0.01576(4) Uani 1 1 d . . . . .
Ag3 Ag 0.78279(2) 0.77187(2) 0.44337(2) 0.01563(4) Uani 1 1 d . . . . .
Ag4 Ag 0.66282(2) 0.79132(2) 0.28247(2) 0.01568(4) Uani 1 1 d . . . . .
Ag5 Ag 0.64940(2) 0.55852(2) 0.10128(2) 0.01679(4) Uani 1 1 d . . . . .
Ag6 Ag 0.42399(2) 0.39616(2) 0.06051(2) 0.01807(4) Uani 1 1 d . . . . .
C1 C 0.4823(2) 0.8723(2) 0.23256(16) 0.0176(5) Uani 1 1 d . . . . .
C2 C 0.4997(2) 0.9973(2) 0.22377(17) 0.0198(5) Uani 1 1 d . . . . .
H2 H 0.547573 1.061942 0.271859 0.024 Uiso 1 1 calc R U . . .
C3 C 0.4489(3) 1.0288(3) 0.14684(19) 0.0243(5) Uani 1 1 d . . . . .
H3 H 0.462112 1.113917 0.142981 0.029 Uiso 1 1 calc R U . . .
C4 C 0.3789(3) 0.9361(3) 0.07569(19) 0.0262(6) Uani 1 1 d . . . . .
H4 H 0.345004 0.957364 0.022774 0.031 Uiso 1 1 calc R U . . .
C5 C 0.3588(2) 0.8127(3) 0.08200(17) 0.0228(5) Uani 1 1 d . . . . .
H5 H 0.310529 0.748978 0.033522 0.027 Uiso 1 1 calc R U . . .
C6 C 0.4092(2) 0.7818(2) 0.15944(16) 0.0173(4) Uani 1 1 d . . . . .
H6 H 0.393617 0.696857 0.163044 0.021 Uiso 1 1 calc R U . . .
C7 C 0.3269(2) 0.8094(2) 0.47556(16) 0.0156(4) Uani 1 1 d . . . . .
C8 C 0.2548(2) 0.8923(2) 0.54430(18) 0.0207(5) Uani 1 1 d . . . . .
H8 H 0.286730 0.979151 0.571295 0.025 Uiso 1 1 calc R U . . .
C9 C 0.1379(3) 0.8517(3) 0.5743(2) 0.0300(6) Uani 1 1 d . . . . .
H9 H 0.093363 0.909676 0.622704 0.036 Uiso 1 1 calc R U . . .
C10 C 0.0862(3) 0.7277(3) 0.5341(2) 0.0275(6) Uani 1 1 d . . . . .
H10 H 0.006312 0.700025 0.554726 0.033 Uiso 1 1 calc R U . . .
C11 C 0.1515(3) 0.6442(3) 0.46389(18) 0.0229(5) Uani 1 1 d . . . . .
H11 H 0.114899 0.559578 0.434447 0.027 Uiso 1 1 calc R U . . .
C12 C 0.2706(2) 0.6836(2) 0.43620(16) 0.0191(5) Uani 1 1 d . . . . .
H12 H 0.315787 0.623773 0.389152 0.023 Uiso 1 1 calc R U . . .
C13 C 0.7362(2) 0.8052(2) 0.58782(16) 0.0165(4) Uani 1 1 d . . . . .
C14 C 0.8018(2) 0.9151(2) 0.64933(16) 0.0167(4) Uani 1 1 d . . . . .
H14 H 0.810840 0.991221 0.631197 0.020 Uiso 1 1 calc R U . . .
C15 C 0.8540(2) 0.9160(2) 0.73601(17) 0.0210(5) Uani 1 1 d . . . . .
H15 H 0.899040 0.991490 0.775682 0.025 Uiso 1 1 calc R U . . .
C16 C 0.8402(3) 0.8069(3) 0.76428(18) 0.0267(6) Uani 1 1 d . . . . .
H16 H 0.875697 0.807160 0.823411 0.032 Uiso 1 1 calc R U . . .
C17 C 0.7741(3) 0.6967(3) 0.7060(2) 0.0265(6) Uani 1 1 d . . . . .
H17 H 0.762475 0.622243 0.725767 0.032 Uiso 1 1 calc R U . . .
C18 C 0.7252(2) 0.6959(2) 0.61877(18) 0.0213(5) Uani 1 1 d . . . . .
H18 H 0.683052 0.618972 0.578797 0.026 Uiso 1 1 calc R U . . .
C19 C 0.8621(2) 0.7177(2) 0.30575(16) 0.0173(4) Uani 1 1 d . . . . .
C20 C 0.9674(2) 0.7941(2) 0.28921(18) 0.0210(5) Uani 1 1 d . . . . .
H20 H 0.961203 0.885590 0.308611 0.025 Uiso 1 1 calc R U . . .
C21 C 1.0802(3) 0.7391(3) 0.24528(18) 0.0230(5) Uani 1 1 d . . . . .
H21 H 1.148854 0.792921 0.234028 0.028 Uiso 1 1 calc R U . . .
C22 C 1.0928(3) 0.6066(3) 0.21795(18) 0.0245(5) Uani 1 1 d . . . . .
H22 H 1.170653 0.569193 0.188957 0.029 Uiso 1 1 calc R U . . .
C23 C 0.9915(3) 0.5284(2) 0.23295(18) 0.0228(5) Uani 1 1 d . . . . .
H23 H 0.999366 0.437059 0.213780 0.027 Uiso 1 1 calc R U . . .
C24 C 0.8781(2) 0.5833(2) 0.27602(16) 0.0174(4) Uani 1 1 d . . . . .
H24 H 0.809368 0.528219 0.285646 0.021 Uiso 1 1 calc R U . . .
C25 C 0.7546(2) 0.6794(2) 0.03243(16) 0.0175(4) Uani 1 1 d . . . . .
C26 C 0.7481(2) 0.8153(2) 0.06761(17) 0.0196(5) Uani 1 1 d . . . . .
H26 H 0.666478 0.852185 0.090620 0.023 Uiso 1 1 calc R U . . .
C27 C 0.8574(3) 0.8964(3) 0.06954(18) 0.0234(5) Uani 1 1 d . . . . .
H27 H 0.850216 0.987451 0.094152 0.028 Uiso 1 1 calc R U . . .
C28 C 0.9776(3) 0.8448(3) 0.03551(19) 0.0265(6) Uani 1 1 d . . . . .
H28 H 1.052540 0.900315 0.036679 0.032 Uiso 1 1 calc R U . . .
C29 C 0.9875(3) 0.7127(3) 0.00011(19) 0.0255(5) Uani 1 1 d . . . . .
H29 H 1.069328 0.676928 -0.023328 0.031 Uiso 1 1 calc R U . . .
C30 C 0.8773(3) 0.6313(2) -0.00135(17) 0.0212(5) Uani 1 1 d . . . . .
H30 H 0.885768 0.540371 -0.026027 0.025 Uiso 1 1 calc R U . . .
C31 C 0.5714(3) 0.4303(2) 0.17675(17) 0.0200(5) Uani 1 1 d . . . . .
C32 C 0.5269(2) 0.4987(2) 0.26303(17) 0.0206(5) Uani 1 1 d . . . . .
H32 H 0.470684 0.570212 0.267538 0.025 Uiso 1 1 calc R U . . .
C33 C 0.5625(3) 0.4652(3) 0.34240(18) 0.0255(5) Uani 1 1 d . . . . .
H33 H 0.531876 0.514361 0.400010 0.031 Uiso 1 1 calc R U . . .
C34 C 0.6418(3) 0.3610(3) 0.33731(19) 0.0279(6) Uani 1 1 d . . . . .
H34 H 0.665050 0.337559 0.391299 0.033 Uiso 1 1 calc R U . . .
C35 C 0.6883(3) 0.2899(3) 0.25332(19) 0.0266(6) Uani 1 1 d . . . . .
H35 H 0.743519 0.217948 0.249658 0.032 Uiso 1 1 calc R U . . .
C36 C 0.6533(3) 0.3249(2) 0.17485(18) 0.0233(5) Uani 1 1 d . . . . .
H36 H 0.685860 0.275882 0.117804 0.028 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C1 2.180(2) . ?
Ag1 C7 2.197(2) . ?
Ag1 Ag2 2.7002(3) . ?
Ag1 Ag4 2.7673(3) . ?
Ag1 Ag2 3.2682(3) 2_676 ?
Ag1 Ag3 3.9268(3) . ?
Ag2 C13 2.193(2) . ?
Ag2 C7 2.209(2) . ?
Ag2 Ag3 2.7290(2) . ?
Ag2 Ag4 3.7997(3) . ?
Ag3 C19 2.198(2) . ?
Ag3 C13 2.199(2) . ?
Ag3 Ag4 2.7381(3) . ?
Ag4 C19 2.204(2) . ?
Ag4 C1 2.211(2) . ?
Ag4 Ag5 3.1297(3) . ?
Ag5 C25 2.198(2) . ?
Ag5 C31 2.211(2) . ?
Ag5 Ag6 2.7209(3) 2_665 ?
Ag5 Ag6 2.7643(3) . ?
Ag6 C31 2.181(2) . ?
Ag6 C25 2.204(2) 2_665 ?
C1 C6 1.406(3) . ?
C1 C2 1.410(3) . ?
C2 C3 1.389(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.400(3) . ?
C7 C12 1.411(3) . ?
C8 C9 1.389(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.380(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.404(3) . ?
C13 C18 1.405(3) . ?
C14 C15 1.391(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.389(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.404(3) . ?
C19 C20 1.409(3) . ?
C20 C21 1.390(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.379(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.401(3) . ?
C25 C26 1.412(3) . ?
C26 C27 1.386(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.391(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.377(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.402(4) . ?
C31 C36 1.408(4) . ?
C32 C33 1.394(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.372(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 C7 162.40(9) . . ?
C1 Ag1 Ag2 138.79(6) . . ?
C7 Ag1 Ag2 52.42(6) . . ?
C1 Ag1 Ag4 51.44(6) . . ?
C7 Ag1 Ag4 132.52(6) . . ?
Ag2 Ag1 Ag4 88.040(8) . . ?
C1 Ag1 Ag2 98.73(7) . 2_676 ?
C7 Ag1 Ag2 95.66(6) . 2_676 ?
Ag2 Ag1 Ag2 85.328(7) . 2_676 ?
Ag4 Ag1 Ag2 107.330(7) . 2_676 ?
C1 Ag1 Ag3 94.96(6) . . ?
C7 Ag1 Ag3 93.52(6) . . ?
Ag2 Ag1 Ag3 43.966(5) . . ?
Ag4 Ag1 Ag3 44.202(5) . . ?
Ag2 Ag1 Ag3 96.061(6) 2_676 . ?
C13 Ag2 C7 162.70(9) . . ?
C13 Ag2 Ag1 143.26(6) . . ?
C7 Ag2 Ag1 52.00(6) . . ?
C13 Ag2 Ag3 51.70(6) . . ?
C7 Ag2 Ag3 138.11(6) . . ?
Ag1 Ag2 Ag3 92.649(8) . . ?
C13 Ag2 Ag1 86.84(6) . 2_676 ?
C7 Ag2 Ag1 101.40(6) . 2_676 ?
Ag1 Ag2 Ag1 94.672(7) . 2_676 ?
Ag3 Ag2 Ag1 103.446(7) . 2_676 ?
C13 Ag2 Ag4 97.60(6) . . ?
C7 Ag2 Ag4 94.73(6) . . ?
Ag1 Ag2 Ag4 46.708(6) . . ?
Ag3 Ag2 Ag4 46.071(5) . . ?
Ag1 Ag2 Ag4 105.951(6) 2_676 . ?
C19 Ag3 C13 168.90(9) . . ?
C19 Ag3 Ag2 138.52(6) . . ?
C13 Ag3 Ag2 51.47(6) . . ?
C19 Ag3 Ag4 51.62(6) . . ?
C13 Ag3 Ag4 139.18(6) . . ?
Ag2 Ag3 Ag4 88.056(7) . . ?
C19 Ag3 Ag1 96.20(6) . . ?
C13 Ag3 Ag1 94.42(6) . . ?
Ag2 Ag3 Ag1 43.385(5) . . ?
Ag4 Ag3 Ag1 44.799(5) . . ?
C19 Ag4 C1 167.42(9) . . ?
C19 Ag4 Ag3 51.43(6) . . ?
C1 Ag4 Ag3 139.93(6) . . ?
C19 Ag4 Ag1 141.93(6) . . ?
C1 Ag4 Ag1 50.44(6) . . ?
Ag3 Ag4 Ag1 90.999(7) . . ?
C19 Ag4 Ag5 83.88(6) . . ?
C1 Ag4 Ag5 90.41(6) . . ?
Ag3 Ag4 Ag5 121.640(8) . . ?
Ag1 Ag4 Ag5 117.739(7) . . ?
C19 Ag4 Ag2 96.76(6) . . ?
C1 Ag4 Ag2 95.38(6) . . ?
Ag3 Ag4 Ag2 45.873(5) . . ?
Ag1 Ag4 Ag2 45.253(5) . . ?
Ag5 Ag4 Ag2 132.202(7) . . ?
C25 Ag5 C31 172.09(9) . . ?
C25 Ag5 Ag6 51.91(6) . 2_665 ?
C31 Ag5 Ag6 134.44(6) . 2_665 ?
C25 Ag5 Ag6 135.83(6) . . ?
C31 Ag5 Ag6 50.52(6) . . ?
Ag6 Ag5 Ag6 84.009(7) 2_665 . ?
C25 Ag5 Ag4 89.43(6) . . ?
C31 Ag5 Ag4 90.11(7) . . ?
Ag6 Ag5 Ag4 118.549(8) 2_665 . ?
Ag6 Ag5 Ag4 118.412(8) . . ?
C31 Ag6 C25 160.91(9) . 2_665 ?
C31 Ag6 Ag5 147.35(6) . 2_665 ?
C25 Ag6 Ag5 51.72(6) 2_665 2_665 ?
C31 Ag6 Ag5 51.47(6) . . ?
C25 Ag6 Ag5 147.60(6) 2_665 . ?
Ag5 Ag6 Ag5 95.991(7) 2_665 . ?
C6 C1 C2 116.1(2) . . ?
C6 C1 Ag1 112.55(16) . . ?
C2 C1 Ag1 115.76(17) . . ?
C6 C1 Ag4 113.13(17) . . ?
C2 C1 Ag4 115.56(17) . . ?
Ag1 C1 Ag4 78.12(8) . . ?
C3 C2 C1 121.9(2) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C4 C3 C2 120.1(2) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 122.2(2) . . ?
C5 C6 H6 118.9 . . ?
C1 C6 H6 118.9 . . ?
C8 C7 C12 115.8(2) . . ?
C8 C7 Ag1 125.38(17) . . ?
C12 C7 Ag1 107.63(16) . . ?
C8 C7 Ag2 109.18(17) . . ?
C12 C7 Ag2 117.53(17) . . ?
Ag1 C7 Ag2 75.58(7) . . ?
C9 C8 C7 122.1(2) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 119.5(2) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.0(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 122.2(2) . . ?
C11 C12 H12 118.9 . . ?
C7 C12 H12 118.9 . . ?
C14 C13 C18 116.3(2) . . ?
C14 C13 Ag2 118.82(17) . . ?
C18 C13 Ag2 107.71(16) . . ?
C14 C13 Ag3 113.98(16) . . ?
C18 C13 Ag3 117.17(17) . . ?
Ag2 C13 Ag3 76.83(7) . . ?
C15 C14 C13 122.1(2) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 119.8(2) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 119.8(2) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 122.1(2) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C24 C19 C20 116.2(2) . . ?
C24 C19 Ag3 108.76(17) . . ?
C20 C19 Ag3 118.58(17) . . ?
C24 C19 Ag4 117.95(17) . . ?
C20 C19 Ag4 112.58(17) . . ?
Ag3 C19 Ag4 76.94(7) . . ?
C21 C20 C19 121.8(2) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.7(2) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 122.0(2) . . ?
C23 C24 H24 119.0 . . ?
C19 C24 H24 119.0 . . ?
C30 C25 C26 116.3(2) . . ?
C30 C25 Ag5 114.31(17) . . ?
C26 C25 Ag5 118.83(17) . . ?
C30 C25 Ag6 115.51(17) . 2_665 ?
C26 C25 Ag6 109.03(16) . 2_665 ?
Ag5 C25 Ag6 76.37(8) . 2_665 ?
C27 C26 C25 121.8(2) . . ?
C27 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
C26 C27 C28 120.2(2) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 119.6(2) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.1(2) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 122.0(2) . . ?
C29 C30 H30 119.0 . . ?
C25 C30 H30 119.0 . . ?
C32 C31 C36 116.0(2) . . ?
C32 C31 Ag6 115.96(18) . . ?
C36 C31 Ag6 114.65(17) . . ?
C32 C31 Ag5 112.86(17) . . ?
C36 C31 Ag5 113.65(18) . . ?
Ag6 C31 Ag5 78.01(8) . . ?
C33 C32 C31 122.0(2) . . ?
C33 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.1(2) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 119.4(3) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C31 122.4(3) . . ?
C35 C36 H36 118.8 . . ?
C31 C36 H36 118.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.8(4) . . . . ?
Ag1 C1 C2 C3 -136.1(2) . . . . ?
Ag4 C1 C2 C3 135.2(2) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C2 C3 C4 C5 0.7(4) . . . . ?
C3 C4 C5 C6 -0.3(4) . . . . ?
C4 C5 C6 C1 -0.7(4) . . . . ?
C2 C1 C6 C5 1.2(3) . . . . ?
Ag1 C1 C6 C5 137.8(2) . . . . ?
Ag4 C1 C6 C5 -135.9(2) . . . . ?
C12 C7 C8 C9 2.4(4) . . . . ?
Ag1 C7 C8 C9 141.4(2) . . . . ?
Ag2 C7 C8 C9 -133.0(2) . . . . ?
C7 C8 C9 C10 -2.4(4) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C9 C10 C11 C12 2.2(4) . . . . ?
C10 C11 C12 C7 -2.1(4) . . . . ?
C8 C7 C12 C11 -0.1(4) . . . . ?
Ag1 C7 C12 C11 -146.0(2) . . . . ?
Ag2 C7 C12 C11 131.4(2) . . . . ?
C18 C13 C14 C15 0.4(3) . . . . ?
Ag2 C13 C14 C15 131.7(2) . . . . ?
Ag3 C13 C14 C15 -140.6(2) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C14 C15 C16 C17 0.0(4) . . . . ?
C15 C16 C17 C18 1.6(4) . . . . ?
C16 C17 C18 C13 -2.2(4) . . . . ?
C14 C13 C18 C17 1.2(4) . . . . ?
Ag2 C13 C18 C17 -135.1(2) . . . . ?
Ag3 C13 C18 C17 140.9(2) . . . . ?
C24 C19 C20 C21 0.5(4) . . . . ?
Ag3 C19 C20 C21 133.1(2) . . . . ?
Ag4 C19 C20 C21 -139.9(2) . . . . ?
C19 C20 C21 C22 -1.2(4) . . . . ?
C20 C21 C22 C23 1.2(4) . . . . ?
C21 C22 C23 C24 -0.5(4) . . . . ?
C22 C23 C24 C19 -0.2(4) . . . . ?
C20 C19 C24 C23 0.2(4) . . . . ?
Ag3 C19 C24 C23 -136.7(2) . . . . ?
Ag4 C19 C24 C23 138.4(2) . . . . ?
C30 C25 C26 C27 -0.7(4) . . . . ?
Ag5 C25 C26 C27 142.0(2) . . . . ?
Ag6 C25 C26 C27 -133.4(2) 2_665 . . . ?
C25 C26 C27 C28 0.6(4) . . . . ?
C26 C27 C28 C29 -0.1(4) . . . . ?
C27 C28 C29 C30 -0.1(4) . . . . ?
C28 C29 C30 C25 0.0(4) . . . . ?
C26 C25 C30 C29 0.4(4) . . . . ?
Ag5 C25 C30 C29 -144.0(2) . . . . ?
Ag6 C25 C30 C29 130.1(2) 2_665 . . . ?
C36 C31 C32 C33 0.5(4) . . . . ?
Ag6 C31 C32 C33 139.5(2) . . . . ?
Ag5 C31 C32 C33 -133.1(2) . . . . ?
C31 C32 C33 C34 -1.0(4) . . . . ?
C32 C33 C34 C35 0.9(4) . . . . ?
C33 C34 C35 C36 -0.2(4) . . . . ?
C34 C35 C36 C31 -0.3(4) . . . . ?
C32 C31 C36 C35 0.1(4) . . . . ?
Ag6 C31 C36 C35 -139.4(2) . . . . ?
Ag5 C31 C36 C35 133.4(2) . . . . ?

_refine_diff_density_max         0.795
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.088

