# Supplementary Information (SI) for Dalton Transactions.
# 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_Ag2B5O8F
_database_code_depnum_ccdc_archive 'CCDC 2394280'
loop_
_audit_author_name
_audit_author_address
'Sergey Volkov'
;Kola Science Centre, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2024-10-28 deposited with the CCDC.	2025-03-17 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ag2 B5 F O8'
_chemical_formula_weight         416.8
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P -2xab;-2ybc;-2zac'
_symmetry_Int_Tables_number      61

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 -x,y+1/2,-z+1/2
4 x+1/2,-y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 x,-y+1/2,z+1/2
8 -x+1/2,y+1/2,z

_cell_length_a                   9.2919(2)
_cell_length_b                   13.6376(3)
_cell_length_c                   10.4234(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1320.84(5)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            8

_cell_measurement_reflns_used    13070
_cell_measurement_theta_min      3.91
_cell_measurement_theta_max      30.72
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    4.1917
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1536

_exptl_absorpt_coefficient_mu    5.975
_exptl_crystal_description       prizm
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_T_max  1
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            20226
_diffrn_reflns_theta_min         3.57
_diffrn_reflns_theta_max         30.99
_diffrn_reflns_theta_full        29.36
_diffrn_measured_fraction_theta_max 0.9
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             1820
_reflns_number_gt                1526
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0172
_refine_ls_wR_factor_gt          0.0193
_refine_ls_R_factor_all          0.0237
_refine_ls_wR_factor_ref         0.0200
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_goodness_of_fit_gt    1.23
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1820
_refine_ls_number_parameters     145
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0356
_refine_ls_shift/su_mean         0.0058
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag -0.8971 1.1015 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
B 0.0013 0.0007 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
F 0.0171 0.0103 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.505739(18) 0.626863(13) 0.031995(15) Uani 0.02064(6) 8 1 d . . .
Ag2 Ag 0.174981(17) 0.602308(13) -0.023535(14) Uani 0.01763(5) 8 1 d . . .
O1 O 0.44416(14) 0.71200(10) 0.43692(13) Uani 0.0121(4) 8 1 d . . .
O2 O 0.27240(14) 0.57794(10) 0.40654(13) Uani 0.0128(4) 8 1 d . . .
O3 O 0.42773(13) 0.58795(10) 0.59329(12) Uani 0.0101(4) 8 1 d . . .
O4 O 0.22711(14) 0.69909(10) 0.56382(13) Uani 0.0119(4) 8 1 d . . .
O5 O 0.20833(14) 0.53746(10) 0.19067(12) Uani 0.0110(4) 8 1 d . . .
O6 O 0.39130(13) 0.65118(10) 0.22838(12) Uani 0.0112(4) 8 1 d . . .
O7 O 0.27166(14) 0.62975(10) 0.77006(12) Uani 0.0111(4) 8 1 d . . .
O8 O 0.59012(13) 0.75243(9) 0.25386(14) Uani 0.0112(4) 8 1 d . . .
F1 F 0.48074(11) 0.54029(9) 0.80558(11) Uani 0.0133(3) 8 1 d . . .
B1 B 0.3446(2) 0.64280(16) 0.5029(2) Uani 0.0095(5) 8 1 d . . .
B2 B 0.2887(2) 0.58704(15) 0.2780(2) Uani 0.0095(5) 8 1 d . . .
B3 B 0.3693(2) 0.55605(15) 0.71212(19) Uani 0.0085(5) 8 1 d . . .
B4 B 0.4760(2) 0.70684(15) 0.3108(2) Uani 0.0096(5) 8 1 d . . .
B5 B 0.1976(2) 0.69125(15) 0.6913(2) Uani 0.0086(5) 8 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O1 . 7_564 2.4776(14) ?
Ag1 O2 . 6_555 2.6448(13) ?
Ag1 O4 . 6_555 2.4897(13) ?
Ag1 O6 . . 2.3304(13) ?
Ag1 F1 . 1_554 2.6490(11) ?
Ag1 F1 . 5_666 2.8423(12) ?
Ag2 O1 . 6_455 2.7664(13) ?
Ag2 O2 . 2_564 2.6102(14) ?
Ag2 O3 . 6_455 2.4177(12) ?
Ag2 O4 . 7_564 2.8982(14) ?
Ag2 O5 . . 2.4214(13) ?
Ag2 O7 . 1_554 2.3613(13) ?
Ag2 F1 . 1_554 3.4582(11) ?
Ag2 F1 . 6_455 3.5519(11) ?
B1 O1 . . 1.490(2) ?
B1 O2 . . 1.497(2) ?
B1 O3 . . 1.430(2) ?
B1 O4 . . 1.478(2) ?
B2 O2 . . 1.354(2) ?
B2 O5 . . 1.358(2) ?
B2 O6 . . 1.393(2) ?
B3 O3 . . 1.421(2) ?
B3 O5 . 2_565 1.482(2) ?
B3 O7 . . 1.483(2) ?
B3 F1 . . 1.438(2) ?
B4 O1 . . 1.349(2) ?
B4 O6 . . 1.391(2) ?
B4 O8 . . 1.365(2) ?
B5 O4 . . 1.361(2) ?
B5 O7 . . 1.360(2) ?
B5 O8 . 4_466 1.384(2) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Ag1 O2 7_564 . 6_555 122.48(4) ?
O1 Ag1 O4 7_564 . 6_555 71.31(4) ?
O1 Ag1 O6 7_564 . . 96.88(5) ?
O1 Ag1 F1 7_564 . 1_554 91.07(4) ?
O1 Ag1 F1 7_564 . 5_666 163.70(4) ?
O2 Ag1 O4 6_555 . 6_555 54.76(4) ?
O2 Ag1 O6 6_555 . . 104.51(4) ?
O2 Ag1 F1 6_555 . 1_554 100.69(4) ?
O2 Ag1 F1 6_555 . 5_666 67.17(4) ?
O4 Ag1 O6 6_555 . . 132.30(5) ?
O4 Ag1 F1 6_555 . 1_554 83.77(4) ?
O4 Ag1 F1 6_555 . 5_666 121.31(4) ?
O6 Ag1 F1 . . 1_554 143.70(4) ?
O6 Ag1 F1 . . 5_666 67.12(4) ?
F1 Ag1 F1 1_554 . 5_666 100.20(3) ?
O1 Ag2 O2 6_455 . 2_564 138.21(4) ?
O1 Ag2 O3 6_455 . 6_455 53.50(4) ?
O1 Ag2 O4 6_455 . 7_564 61.42(4) ?
O1 Ag2 O5 6_455 . . 89.76(4) ?
O1 Ag2 O7 6_455 . 1_554 120.44(4) ?
O1 Ag2 F1 6_455 . 1_554 159.60(3) ?
O1 Ag2 F1 6_455 . 6_455 90.28(3) ?
O2 Ag2 O3 2_564 . 6_455 91.02(4) ?
O2 Ag2 O4 2_564 . 7_564 159.48(4) ?
O2 Ag2 O5 2_564 . . 83.66(4) ?
O2 Ag2 O7 2_564 . 1_554 79.84(4) ?
O2 Ag2 F1 2_564 . 1_554 58.13(3) ?
O2 Ag2 F1 2_564 . 6_455 68.89(3) ?
O3 Ag2 O4 6_455 . 7_564 109.21(4) ?
O3 Ag2 O5 6_455 . . 111.67(4) ?
O3 Ag2 O7 6_455 . 1_554 95.76(4) ?
O3 Ag2 F1 6_455 . 1_554 127.30(4) ?
O3 Ag2 F1 6_455 . 6_455 41.32(3) ?
O4 Ag2 O5 7_564 . . 91.73(4) ?
O4 Ag2 O7 7_564 . 1_554 94.28(4) ?
O4 Ag2 F1 7_564 . 1_554 104.66(3) ?
O4 Ag2 F1 7_564 . 6_455 124.58(3) ?
O5 Ag2 O7 . . 1_554 148.14(4) ?
O5 Ag2 F1 . . 1_554 106.29(4) ?
O5 Ag2 F1 . . 6_455 137.84(4) ?
O7 Ag2 F1 1_554 . 1_554 42.01(4) ?
O7 Ag2 F1 1_554 . 6_455 58.46(4) ?
F1 Ag2 F1 1_554 . 6_455 86.15(3) ?
O1 B1 O2 . . . 110.05(15) ?
O1 B1 O3 . . . 107.46(14) ?
O1 B1 O4 . . . 109.15(15) ?
O2 B1 O3 . . . 112.03(16) ?
O2 B1 O4 . . . 105.32(14) ?
O3 B1 O4 . . . 112.81(15) ?
O2 B2 O5 . . . 123.77(17) ?
O2 B2 O6 . . . 120.10(17) ?
O5 B2 O6 . . . 116.12(17) ?
O3 B3 O5 . . 2_565 108.54(15) ?
O3 B3 O7 . . . 112.43(15) ?
O3 B3 F1 . . . 111.17(15) ?
O5 B3 O7 2_565 . . 110.31(15) ?
O5 B3 F1 2_565 . . 108.91(15) ?
O7 B3 F1 . . . 105.42(14) ?
O1 B4 O6 . . . 120.40(17) ?
O1 B4 O8 . . . 124.78(17) ?
O6 B4 O8 . . . 114.82(16) ?
O4 B5 O7 . . . 122.41(17) ?
O4 B5 O8 . . 4_466 120.33(17) ?
O7 B5 O8 . . 4_466 117.26(17) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



####################################################################### 
# 
# 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_Ag3B5O8F2
_database_code_depnum_ccdc_archive 'CCDC 2394281'
loop_
_audit_author_name
_audit_author_address
'Sergey Volkov'
;Kola Science Centre, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2024-10-28 deposited with the CCDC.	2025-03-17 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ag3 B5 F2 O8'
_chemical_formula_weight         543.6
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yabc'
_symmetry_Int_Tables_number      14

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2

_cell_length_a                   7.8855(2)
_cell_length_b                   10.3111(3)
_cell_length_c                   9.4299(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.338(3)
_cell_angle_gamma                90
_cell_volume                     766.52(4)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    7288
_cell_measurement_theta_min      3.87
_cell_measurement_theta_max      30.68
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    4.7109
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             992

_exptl_absorpt_coefficient_mu    7.659
_exptl_crystal_description       prizm
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            white
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.915
_exptl_absorpt_correction_T_max  1
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            11980
_diffrn_reflns_theta_min         3.41
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_full        28.19
_diffrn_measured_fraction_theta_max 0.84
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             1875
_reflns_number_gt                1543
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0225
_refine_ls_wR_factor_gt          0.0236
_refine_ls_R_factor_all          0.0312
_refine_ls_wR_factor_ref         0.0248
_refine_ls_goodness_of_fit_ref   1.24
_refine_ls_goodness_of_fit_gt    1.31
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         1875
_refine_ls_number_parameters     163
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0300
_refine_ls_shift/su_mean         0.0045
_refine_diff_density_max         1.22
_refine_diff_density_min         -1.28
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag -0.8971 1.1015 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
B 0.0013 0.0007 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
F 0.0171 0.0103 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.22944(4) 0.28963(3) 0.58183(4) Uani 0.02857(10) 4 1 d . . .
Ag2 Ag 0.13638(4) 0.25140(3) 0.66546(3) Uani 0.01914(9) 4 1 d . . .
Ag3 Ag -0.07186(4) 0.30298(3) 0.94850(4) Uani 0.02792(10) 4 1 d . . .
O1 O 0.3733(3) 0.4060(2) 0.3207(3) Uani 0.0129(7) 4 1 d . . .
O2 O 0.1394(3) 0.2894(2) 0.4140(3) Uani 0.0123(7) 4 1 d . . .
O3 O -0.1316(3) 0.1839(2) 0.4020(3) Uani 0.0124(7) 4 1 d . . .
O4 O 0.0754(3) 0.1329(2) 0.2277(2) Uani 0.0106(6) 4 1 d . . .
O5 O -0.0981(3) -0.0342(2) 0.3203(3) Uani 0.0125(7) 4 1 d . . .
O6 O -0.0611(3) 0.3397(2) 0.2204(2) Uani 0.0125(7) 4 1 d . . .
O7 O -0.1236(3) 0.5658(2) 0.1781(3) Uani 0.0123(7) 4 1 d . . .
O8 O 0.0974(3) 0.5097(2) 0.3320(3) Uani 0.0125(6) 4 1 d . . .
F1 F 0.2575(3) 0.4651(2) 0.5365(2) Uani 0.0177(6) 4 1 d . . .
F2 F -0.2374(3) 0.0089(2) 0.5313(2) Uani 0.0178(6) 4 1 d . . .
B1 B -0.2040(5) 0.0559(3) 0.3920(4) Uani 0.0093(9) 4 1 d . . .
B2 B 0.2141(5) 0.4183(4) 0.3985(4) Uani 0.0119(10) 4 1 d . . .
B3 B 0.4617(5) 0.5034(3) 0.2584(4) Uani 0.0092(9) 4 1 d . . .
B4 B 0.0076(4) 0.2355(3) 0.3197(4) Uani 0.0089(9) 4 1 d . . .
B5 B -0.0307(5) 0.4687(4) 0.2447(4) Uani 0.0105(10) 4 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ag1 Ag 0.03393(19) 0.01949(15) 0.0332(2) -0.00531(11) 0.02083(14) -0.01376(12)
Ag2 Ag 0.02802(16) 0.01029(13) 0.01912(15) -0.00103(10) 0.00107(11)
-0.00008(10)
Ag3 Ag 0.02317(17) 0.02248(16) 0.0385(2) -0.01026(11) 0.00840(14) -0.00522(12)
O1 O 0.0112(12) 0.0114(11) 0.0162(12) 0.0007(8) 0.0026(9) 0.0050(9)
O2 O 0.0104(12) 0.0119(11) 0.0144(12) -0.0028(8) -0.0033(9) 0.0033(9)
O3 O 0.0111(11) 0.0078(11) 0.0186(12) -0.0040(8) 0.0065(9) -0.0046(9)
O4 O 0.0142(12) 0.0064(10) 0.0114(11) -0.0007(8) 0.0051(9) 0.0003(8)
O5 O 0.0118(11) 0.0088(11) 0.0170(12) 0.0005(8) 0.0047(9) -0.0020(9)
O6 O 0.0166(12) 0.0072(11) 0.0136(12) 0.0012(8) -0.0059(9) 0.0022(9)
O7 O 0.0081(11) 0.0102(11) 0.0185(12) 0.0003(8) -0.0002(9) 0.0021(9)
O8 O 0.0101(11) 0.0094(11) 0.0179(12) -0.0014(8) -0.0035(9) -0.0028(9)
F1 F 0.0226(11) 0.0199(10) 0.0103(9) -0.0054(8) -0.0037(8) -0.0023(8)
F2 F 0.0190(11) 0.0228(10) 0.0117(9) -0.0048(8) 0.0034(8) 0.0032(8)
B1 B 0.0080(17) 0.0085(16) 0.0113(17) 0.0005(11) 0.0012(13) -0.0007(13)
B2 B 0.0133(18) 0.0108(16) 0.0115(17) -0.0014(13) -0.0004(13) -0.0043(13)
B3 B 0.0104(17) 0.0062(16) 0.0111(16) -0.0004(12) 0.0003(13) 0.0043(12)
B4 B 0.0063(16) 0.0057(15) 0.0147(18) -0.0015(11) -0.0007(13) 0.0001(13)
B5 B 0.0090(17) 0.0124(17) 0.0101(17) -0.0020(12) 0.0018(13) -0.0016(12)

loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O3 . . 2.173(3) ?
Ag1 O4 . 4_455 2.236(2) ?
Ag1 O8 . 3_566 2.446(2) ?
Ag1 F1 . 3_566 2.771(2) ?
Ag1 F2 . . 2.934(2) ?
Ag2 O2 . . 2.404(3) ?
Ag2 O3 . 4_555 2.928(2) ?
Ag2 O5 . 3_556 2.264(2) ?
Ag2 O6 . 4_555 2.605(2) ?
Ag2 O7 . 3_566 2.397(2) ?
Ag2 F1 . . 2.702(2) ?
Ag2 F2 . 3_556 3.369(2) ?
Ag3 O1 . 4_455 2.501(2) ?
Ag3 O2 . 4_455 2.482(2) ?
Ag3 O6 . 1_556 2.591(2) ?
Ag3 O7 . 3_566 2.391(2) ?
Ag3 F1 . 4_455 3.192(2) ?
Ag3 F2 . 2_456 2.611(2) ?
Ag3 F2 . 4_555 3.351(2) ?
B1 O3 . . 1.440(4) ?
B1 O5 . . 1.430(4) ?
B1 O7 . 2_445 1.502(4) ?
B1 F2 . . 1.430(4) ?
B2 O1 . . 1.474(4) ?
B2 O2 . . 1.462(4) ?
B2 O8 . . 1.450(4) ?
B2 F1 . . 1.422(4) ?
B3 O1 . . 1.364(4) ?
B3 O4 . 2_555 1.373(4) ?
B3 O5 . 2_555 1.377(4) ?
B4 O2 . . 1.462(4) ?
B4 O3 . . 1.459(4) ?
B4 O4 . . 1.477(4) ?
B4 O6 . . 1.517(4) ?
B5 O6 . . 1.370(4) ?
B5 O7 . . 1.383(4) ?
B5 O8 . . 1.356(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Ag1 O4 . . 4_455 157.16(9) ?
O3 Ag1 O8 . . 3_566 121.85(8) ?
O3 Ag1 F1 . . 3_566 99.79(8) ?
O3 Ag1 F2 . . . 52.05(7) ?
O4 Ag1 O8 4_455 . 3_566 77.70(8) ?
O4 Ag1 F1 4_455 . 3_566 82.63(7) ?
O4 Ag1 F2 4_455 . . 116.10(7) ?
O8 Ag1 F1 3_566 . 3_566 52.52(7) ?
O8 Ag1 F2 3_566 . . 153.58(7) ?
F1 Ag1 F2 3_566 . . 146.50(6) ?
O2 Ag2 O3 . . 4_555 133.92(7) ?
O2 Ag2 O5 . . 3_556 102.96(8) ?
O2 Ag2 O6 . . 4_555 102.98(8) ?
O2 Ag2 O7 . . 3_566 118.70(8) ?
O2 Ag2 F1 . . . 53.94(7) ?
O2 Ag2 F2 . . 3_556 65.08(6) ?
O3 Ag2 O5 4_555 . 3_556 105.18(7) ?
O3 Ag2 O6 4_555 . 4_555 51.52(7) ?
O3 Ag2 O7 4_555 . 3_566 52.17(7) ?
O3 Ag2 F1 4_555 . . 86.32(6) ?
O3 Ag2 F2 4_555 . 3_556 116.70(6) ?
O5 Ag2 O6 3_556 . 4_555 75.78(8) ?
O5 Ag2 O7 3_556 . 3_566 137.19(8) ?
O5 Ag2 F1 3_556 . . 151.93(8) ?
O5 Ag2 F2 3_556 . 3_556 43.81(7) ?
O6 Ag2 O7 4_555 . 3_566 102.28(7) ?
O6 Ag2 F1 4_555 . . 92.97(7) ?
O6 Ag2 F2 4_555 . 3_556 66.10(6) ?
O7 Ag2 F1 3_566 . . 69.88(7) ?
O7 Ag2 F2 3_566 . 3_556 168.30(7) ?
F1 Ag2 F2 . . 3_556 108.12(6) ?
O1 Ag3 O2 4_455 . 4_455 57.22(8) ?
O1 Ag3 O6 4_455 . 1_556 127.15(8) ?
O1 Ag3 O7 4_455 . 3_566 110.67(8) ?
O1 Ag3 F1 4_455 . 4_455 46.39(7) ?
O1 Ag3 F2 4_455 . 2_456 129.94(7) ?
O1 Ag3 F2 4_455 . 4_555 137.49(7) ?
O2 Ag3 O6 4_455 . 1_556 101.22(8) ?
O2 Ag3 O7 4_455 . 3_566 138.73(8) ?
O2 Ag3 F1 4_455 . 4_455 46.45(7) ?
O2 Ag3 F2 4_455 . 2_456 78.08(7) ?
O2 Ag3 F2 4_455 . 4_555 165.23(7) ?
O6 Ag3 O7 1_556 . 3_566 113.87(8) ?
O6 Ag3 F1 1_556 . 4_455 82.74(6) ?
O6 Ag3 F2 1_556 . 2_456 79.33(7) ?
O6 Ag3 F2 1_556 . 4_555 71.18(6) ?
O7 Ag3 F1 3_566 . 4_455 154.19(7) ?
O7 Ag3 F2 3_566 . 2_456 87.44(7) ?
O7 Ag3 F2 3_566 . 4_555 43.61(7) ?
F1 Ag3 F2 4_455 . 2_456 115.98(6) ?
F1 Ag3 F2 4_455 . 4_555 140.78(5) ?
F2 Ag3 F2 2_456 . 4_555 87.92(6) ?
O3 B1 O5 . . . 113.1(3) ?
O3 B1 O7 . . 2_445 108.7(3) ?
O3 B1 F2 . . . 109.4(3) ?
O5 B1 O7 . . 2_445 111.6(3) ?
O5 B1 F2 . . . 109.6(3) ?
O7 B1 F2 2_445 . . 104.1(3) ?
O1 B2 O2 . . . 108.7(3) ?
O1 B2 O8 . . . 112.3(3) ?
O1 B2 F1 . . . 107.2(3) ?
O2 B2 O8 . . . 112.4(3) ?
O2 B2 F1 . . . 107.8(3) ?
O8 B2 F1 . . . 108.2(3) ?
O1 B3 O4 . . 2_555 124.3(3) ?
O1 B3 O5 . . 2_555 116.0(3) ?
O4 B3 O5 2_555 . 2_555 119.7(3) ?
O2 B4 O3 . . . 110.4(3) ?
O2 B4 O4 . . . 111.6(3) ?
O2 B4 O6 . . . 110.2(2) ?
O3 B4 O4 . . . 109.8(2) ?
O3 B4 O6 . . . 108.9(3) ?
O4 B4 O6 . . . 105.9(3) ?
O6 B5 O7 . . . 122.6(3) ?
O6 B5 O8 . . . 122.0(3) ?
O7 B5 O8 . . . 115.4(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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



