BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives
Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas; ACS Catalysis 6 (2016) 3030–; doi:10.1021/acscatal.6b00587

data_4513863
_publ_section_title
;
 BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of
 Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into
 Methanol Derivatives
;
_journal_issue                   5
_journal_name_full               'ACS Catalysis'
_journal_page_first              3030
_journal_paper_doi               10.1021/acscatal.6b00587
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C33 H38 B Li O2 P2 S2'
_chemical_formula_weight         610.44
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_beta                 79.606(2)
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.13
_cell_measurement_theta_min      3.56
_cell_volume                     1663.14(14)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         5.098
_diffrn_source                   'Incoatec microfocus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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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^)+(0.0655P)^2^+0.9779P] 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            cs6b00587_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4513863--4513864.cif.'
_cod_database_code               4513863
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              8063