Near-Infrared Absorbing and Emitting RuII-PtII Heterodimetallic Complexes of Dpdpz (Dpdpz = 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine)
Si-Hai Wu; Stephen E. Burkhardt; Jiannian Yao; Yu-Wu Zhong; Héctor D. Abruña; Inorganic Chemistry 50 (2011) 3959–3969; doi:10.1021/ic1023696

data_4324944
_publ_section_title
;
 Near-Infrared Absorbing and Emitting RuII-PtII Heterodimetallic Complexes
 of Dpdpz (Dpdpz = 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3959
_journal_page_last               3969
_journal_paper_doi               10.1021/ic1023696
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C26 H18 Cl2 N4 Pt'
_chemical_formula_sum            'C26 H18 Cl2 N4 Pt'
_chemical_formula_weight         652.43
_chemical_name_systematic
; 
 ? 
;
_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                85.311(14)
_cell_angle_beta                 83.961(13)
_cell_angle_gamma                79.865(14)
_cell_formula_units_Z            2
_cell_length_a                   9.293(3)
_cell_length_b                   10.736(3)
_cell_length_c                   11.436(4)
_cell_measurement_reflns_used    1754
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1114.6(6)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT+'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractometer'
_diffrn_measurement_method       'phi and 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  0.0625
_diffrn_reflns_av_sigmaI/netI    0.0675
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14769
_diffrn_reflns_theta_full        23.45
_diffrn_reflns_theta_max         23.45
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    6.557
_exptl_absorpt_correction_T_max  0.7351
_exptl_absorpt_correction_T_min  0.4396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.882
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                2582
_reflns_number_total             3214
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1023696_si_001.cif
_cod_data_source_block           ywz1
_cod_database_code               4324944