New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.
Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo; Chemical communications (Cambridge, England) 52 (2016) 4898–4901; doi:10.1039/c6cc01493c

data_7118848
_publ_section_title
;
 New outcomes of Lewis base addition to diboranes(4): electronic effects
 override strong steric disincentives.
;
_journal_issue                   27
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4898
_journal_page_last               4901
_journal_paper_doi               10.1039/c6cc01493c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C32 H42 B2 F2 N4, C H2 Cl2'
_chemical_formula_sum            'C33 H44 B2 Cl2 F2 N4'
_chemical_formula_weight         627.24
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2016-02-11 deposited with the CCDC.
2016-03-04 downloaded from the CCDC.
;
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_cell_angle_gamma                113.535(10)
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_cell_length_b                   11.083(4)
_cell_length_c                   14.473(3)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.38
_cell_volume                     1619.6(7)
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_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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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^)+(0.1193P)^2^+1.0508P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.1768
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6734
_reflns_number_total             7433
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc01493c2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
Adding full bibliography for 7118845--7118848.cif.

2018-01-26
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        1619.5(7)
_cod_original_formula_moiety     'C16.50 H22 B Cl F N2'
_cod_original_formula_sum        'C16.50 H22 B Cl F N2'
_cod_original_formula_units_Z    4
_cod_original_formula_weight     313.62
_cod_database_code               7118848
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              72880