Photoinduced electron transfer in platinum(II) terpyridyl acetylide chromophores: reductive and oxidative quenching and hydrogen production.
Du, Pingwu; Schneider, Jacob; Jarosz, Paul; Zhang, Jie; Brennessel, William W.; Eisenberg, Richard; The journal of physical chemistry. B 111 (2007) 6887–6894; doi:10.1021/jp072187n

data_1556092
_publ_section_title
;
 Photoinduced electron transfer in platinum(II) terpyridyl acetylide
 chromophores: reductive and oxidative quenching and hydrogen production.
;
_journal_issue                   24
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              6887
_journal_page_last               6894
_journal_paper_doi               10.1021/jp072187n
_journal_volume                  111
_journal_year                    2007
_chemical_formula_moiety         'C23 H16 N3 Pt, Cl O4'
_chemical_formula_sum            'C23 H16 Cl N3 O4 Pt'
_chemical_formula_weight         628.93
_chemical_name_common            eispd06
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 102.095(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0288(7)
_cell_length_b                   17.5533(13)
_cell_length_c                   12.8039(10)
_cell_measurement_reflns_used    3975
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      32.94
_cell_measurement_theta_min      2.53
_cell_volume                     1984.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_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
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34949
_diffrn_reflns_theta_full        32.57
_diffrn_reflns_theta_max         32.57
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    7.246
_exptl_absorpt_correction_T_max  0.1362
_exptl_absorpt_correction_T_min  0.1151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.222
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         7146
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0173
_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^)+(0.0140P)^2^+2.0448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0378
_refine_ls_wR_factor_ref         0.0386
_reflns_number_gt                6574
_reflns_number_total             7146
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp072187nsi20070319_034732.cif
_cod_data_source_block           eispd06
_cod_database_code               1556092