Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.
Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio; Inorganic chemistry 55 (2016) 7003–7011; doi:10.1021/acs.inorgchem.6b00741

data_4347871
_publ_section_title
;
 Integration of Paramagnetic Diruthenium Complexes into an Extended Chain
 by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7003
_journal_page_last               7011
_journal_paper_doi               10.1021/acs.inorgchem.6b00741
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C84 H228 F78 N38 O42 P13 Pt12 Ru9'
_chemical_formula_weight         7578.36
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   21.404(5)
_cell_length_b                   21.404(5)
_cell_length_c                   35.979(8)
_cell_measurement_reflns_used    12352
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.1630
_cell_measurement_theta_min      1.5773
_cell_volume                     14275(6)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        CRYSTALCLEAR
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.2017
_diffrn_reflns_av_sigmaI/netI    0.1046
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            97760
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    6.486
_exptl_absorpt_correction_T_max  0.8812
_exptl_absorpt_correction_T_min  0.2464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7126
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.02
_refine_diff_density_max         6.773
_refine_diff_density_min         -2.258
_refine_diff_density_rms         0.386
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         5998
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.991
_refine_ls_R_factor_all          0.3256
_refine_ls_R_factor_gt           0.2496
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4270
_refine_ls_wR_factor_ref         0.4557
_reflns_number_gt                3389
_reflns_number_total             5998
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00741_si_005.cif
_cod_data_source_block           Green
_cod_original_cell_volume        14275(5)
_cod_database_code               4347871