Electrochemistry, Chemical Reactivity, and Time-Resolved Infrared Spectroscopy of Donor-Acceptor Systems [(Q(x))Pt(pap(y))] (Q = Substituted o-Quinone or o-Iminoquinone; pap = Phenylazopyridine).
Deibel, Naina; Schweinfurth, David; Hohloch, Stephan; Delor, Milan; Sazanovich, Igor V.; Towrie, Michael; Weinstein, Julia A.; Sarkar, Biprajit; Inorganic chemistry 53 (2014) 1021–1031; doi:10.1021/ic4024713

data_4337179
_publ_section_title
;
 Electrochemistry, Chemical Reactivity, and Time-Resolved Infrared
 Spectroscopy of Donor-Acceptor Systems [(Q(x))Pt(pap(y))] (Q =
 Substituted o-Quinone or o-Iminoquinone; pap = Phenylazopyridine).
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1021
_journal_page_last               1031
_journal_paper_doi               10.1021/ic4024713
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C31 H34 B F4 N4 O Pt'
_chemical_formula_weight         760.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 114.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.720(9)
_cell_length_b                   5.9400(12)
_cell_length_c                   24.200(5)
_cell_measurement_reflns_used    7698
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.92
_cell_measurement_theta_min      1.04
_cell_volume                     5610(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.865
_diffrn_measurement_device_type  'Bruker Smart AXS'
_diffrn_measurement_method       'omega scans'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.92
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    5.063
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3000
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.544
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.170
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.500(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         8236
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                7698
_reflns_number_total             8236
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic4024713_si_002.cif
_cod_data_source_block           sar235m
_cod_original_cell_volume        5610.0(19)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4337179