Light-driven hydrogen production from aqueous protons using molybdenum catalysts.
Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard; Inorganic chemistry 53 (2014) 9860–9869; doi:10.1021/ic501440a

data_4340959
_publ_section_title
;
 Light-driven hydrogen production from aqueous protons using molybdenum
 catalysts.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9860
_journal_page_last               9869
_journal_paper_doi               10.1021/ic501440a
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C24 H30 Mo N2 S4'
_chemical_formula_sum            'C24 H30 Mo N2 S4'
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_chemical_name_common            eiswe101
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 90.869(2)
_cell_angle_gamma                90.00
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_cell_measurement_reflns_used    4039
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_cell_measurement_theta_max      35.22
_cell_measurement_theta_min      2.83
_cell_volume                     2691.7(5)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(5)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, \w scans per \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
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_diffrn_reflns_theta_full        37.78
_diffrn_reflns_theta_max         37.78
_diffrn_reflns_theta_min         2.03
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_exptl_absorpt_correction_T_min  0.7372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_number_reflns         14328
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_refine_ls_R_factor_all          0.1083
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0329P)^2^+0.5109P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                9095
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501440a_si_003.cif
_cod_data_source_block           eiswe101
_cod_depositor_comments
'Adding full bibliography for 4340958--4340963.cif.'
_cod_original_cell_volume        2691.8(6)
_cod_database_code               4340959