Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium
Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique; Dalton Transactions  (2018) –; doi:10.1039/C8DT01451E

data_7046277
_publ_section_title
;
 Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C8DT01451E
_journal_year                    2018
_chemical_formula_moiety         '2(C42 H63 B Mg N4 O2)'
_chemical_formula_sum            'C84 H126 B2 Mg2 N8 O4'
_chemical_formula_weight         1382.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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;
Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_audit_update_record
;
2018-02-19 deposited with the CCDC.
2018-05-09 downloaded from the CCDC.
;
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_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_unetI/netI     0.0433
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
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            colorless
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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^)+(0.0768P)^2^+2.2694P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11773
_reflns_number_total             17110
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01451e2.cif
_cod_data_source_block           s17msh60
_cod_original_cell_volume        8601.2(4)
_cod_database_code               7046277
_shelxl_version_number           2014-3
_chemical_oxdiff_usercomment     'colorless block'
_olex2_submission_special_instructions 'No special instructions were received'