Complexation of asymmetric diborenes with magnesium bromide.
Lu, Wei; Kinjo, Rei; Chemical communications (Cambridge, England) 54 (2018) 8842–8844; doi:10.1039/c8cc04775h

data_7121993
_publ_section_title
;
 Complexation of asymmetric diborenes with magnesium bromide.
;
_journal_issue                   64
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8842
_journal_page_last               8844
_journal_paper_doi               10.1039/c8cc04775h
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C62.68 H123.36 B6 Br4 Mg2 N2 O2 P4 Si4'
_chemical_formula_weight         1606.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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
_audit_update_record
;
2018-03-29 deposited with the CCDC.
2018-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                107.0110(10)
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_cell_angle_gamma                109.3270(10)
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_cell_length_b                   16.8383(4)
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_cell_measurement_reflns_used    9989
_cell_measurement_temperature    103.(2)
_cell_measurement_theta_max      67.6781
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_cell_volume                     4359.4(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      103.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Multilayer Mirror'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_k_min       -20
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            55372
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_diffrn_source                   'Incoatec Microfocus Source'
_diffrn_source_type              'Bruker Kappa Duo APEX2'
_exptl_absorpt_coefficient_mu    3.888
_exptl_absorpt_correction_T_max  0.70
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_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0747P)^2^+0.1345P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1285
_reflns_number_gt                13124
_reflns_number_total             15689
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc04775h2.cif
_cod_data_source_block           rei821s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7121992--7121993.cif.
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_cod_original_cell_volume        4359.43(19)
_cod_database_code               7121993
_shelx_res_checksum              31616