Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.
Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin; Dalton transactions (Cambridge, England : 2003) 49 (2020) 95–101; doi:10.1039/c9dt04323c

data_7702002
_publ_section_title
;
 Tandem deoxygenative hydrosilation of carbon dioxide with a cationic
 scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.1039/c9dt04323c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C62 H58 B4 Cl N18 Sc2, C18 H B F15, 4(C6 H6)'
_chemical_formula_sum            'C104 H83 B5 Cl F15 N18 Sc2'
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_space_group_name_Hall           '-P 1'
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-06 deposited with the CCDC.	2019-11-22 downloaded from the CCDC.
;
_cell_angle_alpha                74.561(5)
_cell_angle_beta                 77.281(5)
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_cell_length_b                   17.7327(10)
_cell_length_c                   19.0548(14)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           CuK\a
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;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0896 before and 0.0773 after correction.
The Ratio of minimum to maximum transmission is 0.9018.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1970P)^2^+4.5244P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.3654
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10840
_reflns_number_total             18582
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7702000--7702003.cif.'
_cod_database_code               7702002
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