Electrocatalytic CO<sub>2</sub> reduction by a cobalt bis(pyridylmonoimine) complex: effect of acid concentration on catalyst activity and stability.
Nie, Weixuan; McCrory, Charles C. L.; Chemical communications (Cambridge, England) 54 (2018) 1579–1582; doi:10.1039/c7cc08546j

data_7121163
_publ_section_title
;
 Electrocatalytic CO<sub>2</sub> reduction by a cobalt
 bis(pyridylmonoimine) complex: effect of acid concentration on catalyst
 activity and stability.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1579
_journal_page_last               1582
_journal_paper_doi               10.1039/c7cc08546j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C16 H18 Br3 Co N4'
_chemical_formula_weight         565.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-08-30 deposited with the CCDC.
2018-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                85.313(4)
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_cell_angle_gamma                86.856(4)
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_cell_length_b                   10.7007(5)
_cell_length_c                   11.1674(4)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      69.0500
_cell_measurement_theta_min      4.1120
_cell_volume                     931.71(7)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku Saturn944+ CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0190
_diffrn_reflns_Laue_measured_fraction_full 0.975
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13611
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.381
_diffrn_reflns_theta_min         4.147
_diffrn_source                   'micro-focus rotating anode'
_exptl_absorpt_coefficient_mu    14.799
_exptl_absorpt_correction_T_max  0.319
_exptl_absorpt_correction_T_min  0.071
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.014
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       0.00282(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0252
_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^)+(0.0424P)^2^+1.4551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0638
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3332
_reflns_number_total             3345
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc08546j2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7121163.cif.'
_cod_database_code               7121163
_shelxl_version_number           2013-4
_shelx_res_checksum              12729