A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene
Rei Okamura; Tohru Wada; Katsuji Aikawa; Toshi Nagata; Koji Tanaka; Inorganic Chemistry 43 (2004) 7210–7217; doi:10.1021/ic049680n

data_4311958
_publ_contact_author_address
;
Institute for Molecular Science
Higashiyama 5-1
Myodaiji
Okazaki
Aichi 444-8787
JAPAN
;
_publ_contact_author_email       ' ktanaka@ims.ac.jp '
_publ_contact_author_fax         ' +81-564-59-5582 '
_publ_contact_author_name        ' Koji Tanaka '
_publ_contact_author_phone       ' +81-564-59-5580'
_publ_section_title
;
 A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7210
_journal_page_last               7217
_journal_paper_doi               10.1021/ic049680n
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C31 H37 F6 N3 O3 P Ru S'
_chemical_formula_weight         777.75
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.94(1)
_cell_angle_beta                 73.23(1)
_cell_angle_gamma                82.10(2)
_cell_formula_units_Z            2
_cell_length_a                   8.972(4)
_cell_length_b                   12.609(5)
_cell_length_c                   15.791(6)
_cell_measurement_reflns_used    3521
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1614.8(11)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9628
_diffrn_measured_fraction_theta_max 0.9628
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13008
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.16
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     410
_refine_ls_number_reflns         7123
_refine_ls_R_factor_gt           0.0702
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                4871
_reflns_number_total             7123
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049680nsi20040630_030619_3.cif
_cod_data_source_block           '_[(RutBu2SQdmso)(tpy)](PF6)([5](PF6))'
_cod_original_cell_volume        1614(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C31 H37 F6 N3 O3 P S Ru '
_cod_database_code               4311958