An unexpected role of the monodentate ligand in photocatalytic hydrogen production of the pentadentate ligand-based cobalt complexes
Jingfan Xie; Qianxiong Zhou; Chao Li; Weibo Wang; Yuanjun Hou; Baowen Zhang; Xuesong Wang; Chem.Commun. 50 (2014) 6520–; doi:10.1039/C4CC01471E

data_7113961
_publ_section_title
;
 An unexpected role of the monodentate ligand in photocatalytic hydrogen
 production of the pentadentate ligand-based cobalt complexes
;
_journal_coden_Cambridge         182
_journal_name_full               Chem.Commun.
_journal_page_first              6520
_journal_paper_doi               10.1039/C4CC01471E
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C23 H33 Cl3 Co N5 O6'
_chemical_formula_weight         640.82
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.173(4)
_cell_length_b                   13.175(5)
_cell_length_c                   23.399(9)
_cell_measurement_reflns_used    8783
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.031
_cell_measurement_theta_min      2.328
_cell_volume                     2828(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_max         29.02
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.937
_exptl_absorpt_correction_T_max  0.9680
_exptl_absorpt_correction_T_min  0.6646
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.47
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_refine_diff_density_max         1.289
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         7514
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1110P)^2^+0.9630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1748
_refine_ls_wR_factor_ref         0.1907
_reflns_number_gt                5701
_reflns_number_total             7514
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc01471e2.cif
_cod_data_source_block           global
_cod_original_cell_volume        2828.0(19)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7113961