Expanding silver fluorooxoborate crystal chemistry: Ag<sub>2</sub>B<sub>5</sub>O<sub>8</sub>F with 3D double interpenetrating frameworks and Ag<sub>3</sub>B<sub>5</sub>O<sub>8</sub>F<sub>2</sub> with 2D layers.
Volkov, Sergey; Yang, Xia; Kireev, Vadim; Banaru, Alexander; Han, Shujuan; Gosteva, Alevtina; Arsent'ev, Maxim; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Vorobiev, Stepan; Vaitieva, Yulia; Aksenov, Sergey; Zhang, Fangfang; Dalton transactions (Cambridge, England : 2003) 54 (2025) 6020–6024; doi:10.1039/d5dt00263j

data_7718344
_publ_section_title
;
 Expanding silver fluorooxoborate crystal chemistry:
 Ag<sub>2</sub>B<sub>5</sub>O<sub>8</sub>F with 3D double interpenetrating
 frameworks and Ag<sub>3</sub>B<sub>5</sub>O<sub>8</sub>F<sub>2</sub> with
 2D layers.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6020
_journal_page_last               6024
_journal_paper_doi               10.1039/d5dt00263j
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'Ag2 B5 F O8'
_chemical_formula_weight         416.8
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_update_record
;
2024-10-28 deposited with the CCDC.	2025-03-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.2919(2)
_cell_length_b                   13.6376(3)
_cell_length_c                   10.4234(2)
_cell_measurement_reflns_used    13070
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.72
_cell_measurement_theta_min      3.91
_cell_volume                     1320.85(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.9
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20226
_diffrn_reflns_theta_full        29.36
_diffrn_reflns_theta_max         30.99
_diffrn_reflns_theta_min         3.57
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.975
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.719
_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_crystal_density_diffrn    4.1917
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.23
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_number_constraints    0
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1820
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0172
_refine_ls_shift/su_max          0.0356
_refine_ls_shift/su_mean         0.0058
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0193
_refine_ls_wR_factor_ref         0.0200
_reflns_number_gt                1526
_reflns_number_total             1820
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d5dt00263j2.cif
_cod_data_source_block           Ag2B5O8F
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718344--7718345.cif.
;
_cod_original_cell_volume        1320.84(5)
_cod_original_sg_symbol_Hall     '-P -2xab;-2ybc;-2zac'
_cod_database_code               7718344