Efficient photo-driven hydrogen evolution by binuclear nickel catalysts of different coordination in noble-metal-free systems.
Cui, Hong-Hua; Wang, Jin-Yun; Hu, Ming-Qiang; Ma, Cheng-Bing; Wen, Hui-Min; Song, Xiao-Wei; Chen, Chang-Neng; Dalton transactions (Cambridge, England : 2003) 42 (2013) 8684–8691; doi:10.1039/c3dt50140j

data_7021407
_publ_section_title
;
 Efficient photo-driven hydrogen evolution by binuclear nickel catalysts
 of different coordination in noble-metal-free systems.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8684
_journal_page_last               8691
_journal_paper_doi               10.1039/c3dt50140j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C30 H20 Cl4 N4 Ni2 S8'
_chemical_formula_weight         952.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.737(3)
_cell_angle_beta                 97.335(4)
_cell_angle_gamma                90.051(3)
_cell_formula_units_Z            4
_cell_length_a                   11.909(3)
_cell_length_b                   11.927(2)
_cell_length_c                   25.783(5)
_cell_measurement_reflns_used    9757
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4623
_cell_measurement_theta_min      2.1930
_cell_volume                     3631.9(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            39335
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.822
_exptl_absorpt_correction_T_max  0.695
_exptl_absorpt_correction_T_min  0.702
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Blackred
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         0.948
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         16667
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1781
_reflns_number_gt                12810
_reflns_number_total             16667
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50140j.txt
_cod_data_source_block           a
_cod_database_code               7021407