Cobalt-based molecular electrocatalysis of nitrile reduction: evolving sustainability beyond hydrogen.
Child, Simon N.; Raychev, Radoslav; Moss, Nathan; Howchen, Benjamin; Horton, Peter N.; Prior, Christopher C.; Oganesyan, Vasily S.; Fielden, John; Dalton transactions (Cambridge, England : 2003) 48 (2019) 9576–9580; doi:10.1039/c9dt00773c

data_7700245
_publ_section_title
;
 Cobalt-based molecular electrocatalysis of nitrile reduction: evolving
 sustainability beyond hydrogen.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9576
_journal_page_last               9580
_journal_paper_doi               10.1039/c9dt00773c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C18 H20 Co N5 O4, N O3'
_chemical_formula_sum            'C18 H20 Co N6 O7'
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_symmetry_space_group_name_Hall  '-P 2yn'
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;
2019-02-20 deposited with the CCDC.    2019-06-11 downloaded from the CCDC.
;
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;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
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CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
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CrystalClear-SM Expert 3.1 b27 (Rigaku, 2012)
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_diffrn_reflns_av_unetI/netI     0.0203
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4507
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+1.0105P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3962
_reflns_number_total             4507
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00773c2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7700244--7700245.cif.'
_cod_original_cell_volume        1964.6(4)
_cod_database_code               7700245
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.787
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_shelx_res_checksum              39101