Na<sub>3</sub>B<sub>7</sub>O<sub>11</sub>F<sub>2</sub>: a new sodium-rich fluorooxoborate with a unique [B<sub>14</sub>O<sub>24</sub>F<sub>4</sub>] ring and a short ultraviolet absorption edge.
Tang, Changcheng; Jiang, XingXing; Yin, Wenlong; Liu, Lijuan; Xia, Mingjun; Huang, Qian; Song, Gaomin; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian; Dalton transactions (Cambridge, England : 2003) 48 (2018) 21–24; doi:10.1039/c8dt03348j

data_7047823
_publ_section_title
;
 Na<sub>3</sub>B<sub>7</sub>O<sub>11</sub>F<sub>2</sub>: a new sodium-rich
 fluorooxoborate with a unique [B<sub>14</sub>O<sub>24</sub>F<sub>4</sub>]
 ring and a short ultraviolet absorption edge.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              21
_journal_page_last               24
_journal_paper_doi               10.1039/c8dt03348j
_journal_volume                  48
_journal_year                    2018
_chemical_formula_sum            'B14 F4 Na6 O22'
_chemical_formula_weight         717.28
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-28 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2659(12)
_cell_length_b                   16.3431(16)
_cell_length_c                   6.6326(5)
_cell_measurement_reflns_used    2071
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6860
_cell_measurement_theta_min      3.3320
_cell_volume                     1004.40(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  Rigaku
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            8125
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    0.340
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             696
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         1059
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0734P)^2^+0.1817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1184
_reflns_number_gt                787
_reflns_number_total             1059
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt03348j2.cif
_cod_data_source_block           b
_cod_depositor_comments          'Adding full bibliography for 7047823.cif.'
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               7047823