Photophysical and electrochemical properties of 1,3-bis(2-pyridylimino)isoindolate platinum(ii) derivatives.
Hanson, Kenneth; Roskop, Luke; Patel, Niral; Griffe, Laurent; Djurovich, Peter I.; Gordon, Mark S.; Thompson, Mark E.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8648–8659; doi:10.1039/c2dt30354j

data_7019417
_publ_section_title
;
 Photophysical and electrochemical properties of
 1,3-bis(2-pyridylimino)isoindolate platinum(ii) derivatives.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8648
_journal_page_last               8659
_journal_paper_doi               10.1039/c2dt30354j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C26 H22 N6 Pt'
_chemical_formula_sum            'C26 H22 N6 Pt'
_chemical_formula_weight         613.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 115.0110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1436(7)
_cell_length_b                   23.4283(13)
_cell_length_c                   9.3583(6)
_cell_measurement_reflns_used    120
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      24.3699
_cell_measurement_theta_min      3.4859
_cell_volume                     2214.1(2)
_computing_cell_refinement       'Bruker APEX2 v2010.11-3'
_computing_data_collection       'Bruker Instrument Service v2011.6.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega- and phi-scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           'MoK\a '
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0119
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            26464
_diffrn_reflns_theta_full        30.53
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         2.20
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    6.365
_exptl_absorpt_correction_T_max  0.54
_exptl_absorpt_correction_T_min  0.46
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS V2008/1'
_exptl_crystal_colour            'clear intense red'
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.301
_refine_diff_density_min         -1.003
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         3363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0174P)^2^+2.5043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                3095
_reflns_number_total             3363
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30354j.txt
_cod_data_source_block           I
_cod_database_code               7019417