The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.
Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo; Chemical communications (Cambridge, England) 60 (2024) 8621–8624; doi:10.1039/d4cc03022b

data_7133334
_publ_section_title
;
 The tetracyanoborate anion as a building block for the heterocubane
 cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.
;
_journal_issue                   65
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8621
_journal_page_last               8624
_journal_paper_doi               10.1039/d4cc03022b
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C20 H24 B Cr N4 Na O7, C4 H8 O'
_chemical_formula_sum            'C24 H32 B Cr N4 Na O8'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2024-06-19 deposited with the CCDC.	2024-07-12 downloaded from the CCDC.
;
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_cell_length_c                   12.9109(5)
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_diffrn_ambient_temperature      568(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30860
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
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_diffrn_reflns_theta_min         3.514
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.49a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.063
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_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
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_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1450P)^2^+1.2365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2178
_refine_ls_wR_factor_ref         0.2232
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5522
_reflns_number_total             6095
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc03022b2.cif
_cod_data_source_block           Compound_Na2[5d]
_cod_depositor_comments
'Adding full bibliography for 7133333--7133336.cif.'
_cod_original_cell_volume        1497.08(11)
_cod_database_code               7133334
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              985
_shelx_hkl_checksum              12425