Preparation of cage-shaped hexakis(spiroborate)s.
Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro; Organic & biomolecular chemistry 18 (2020) 3717–3723; doi:10.1039/d0ob00518e

data_7157489
_publ_section_title
;
 Preparation of cage-shaped hexakis(spiroborate)s.
;
_journal_issue                   19
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3717
_journal_page_last               3723
_journal_paper_doi               10.1039/d0ob00518e
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C210 H270 B6 N6 O24'
_chemical_formula_weight         3327.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-07 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.97(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   19.133(4)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
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_computing_data_collection       'Beamline Scheduling Software at BL38B1'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'ADSC QUANTUM 315'
_diffrn_measurement_method       'PHI SCAN'
_diffrn_radiation_source         'SPring-8 BL38B1 beamline'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 0.911
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_diffrn_reflns_limit_h_max       40
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_diffrn_reflns_theta_max         23.306
_diffrn_reflns_theta_min         1.444
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  0.9974
_exptl_absorpt_correction_T_min  0.9872
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_colour            'pale yellow'
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_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.1391
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00518e2.cif
_cod_data_source_block           c2_m_sq
_cod_depositor_comments
'Adding full bibliography for 7157489--7157490.cif.'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7157489
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              67793
_shelx_fab_checksum              37809