Rb<sub>3</sub>BaTeB<sub>7</sub>O<sub>15</sub>: a novel [B<sub>7</sub>O<sub>16</sub>] fundamental building block in a new telluroborate with [TeO<sub>3</sub>] polyhedra.
Sun, Jun; Mutailipu, Miriding; Cheng, Shichao; Yang, Zhihua; Pan, Shilie; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8911–8917; doi:10.1039/d0dt01102a

data_7704680
_publ_section_title
;
 Rb<sub>3</sub>BaTeB<sub>7</sub>O<sub>15</sub>: a novel
 [B<sub>7</sub>O<sub>16</sub>] fundamental building block in a new
 telluroborate with [TeO<sub>3</sub>] polyhedra.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8911
_journal_page_last               8917
_journal_paper_doi               10.1039/d0dt01102a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'B7 Ba O15 Rb3 Te'
_chemical_formula_weight         837.02
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-01-09 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.278(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.102(2)
_cell_length_b                   6.4092(16)
_cell_length_c                   25.794(7)
_cell_measurement_temperature    296(2)
_cell_volume                     1492.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            8856
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    14.376
_exptl_absorpt_correction_T_max  0.3303
_exptl_absorpt_correction_T_min  0.2958
_exptl_crystal_density_diffrn    3.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.217
_refine_ls_extinction_coef       0.00171(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0246P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0654
_reflns_number_gt                2755
_reflns_number_total             3424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt01102a2.cif
_cod_data_source_block           111
_cod_depositor_comments          'Adding full bibliography for 7704680.cif.'
_cod_original_cell_volume        1492.6(7)
_cod_database_code               7704680