Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.
Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel; Chemical communications (Cambridge, England) 54 (2018) 4700–4703; doi:10.1039/c8cc02139b

data_7124472
_publ_section_title
;
 Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with
 boranes.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4700
_journal_page_last               4703
_journal_paper_doi               10.1039/c8cc02139b
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C14 H34 B2 N4'
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_space_group_crystal_system      orthorhombic
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_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-03-13 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'Phi and Omega Scans'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_description       Prismatic
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_refine_ls_abs_structure_details
;
 Flack x determined using 1683 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   2.7(8)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+0.1818P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0973
_reflns_Friedel_coverage         0.824
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_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                4077
_reflns_number_total             4544
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc02139b2.cif
_cod_data_source_block           Compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/data/users/saulius/crontab/automatic-downloads/current/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 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        1776.5(8)
_cod_database_code               7124472
_shelxl_version_number           2014-3
_shelx_res_checksum              14713