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_4311956
_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            'C54 H49 Cl4 F6 N6 O P Pt'
_chemical_formula_weight         1279.89
_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                63.540(8)
_cell_angle_beta                 68.387(8)
_cell_angle_gamma                76.382(9)
_cell_formula_units_Z            2
_cell_length_a                   14.125(3)
_cell_length_b                   14.833(3)
_cell_length_c                   15.718(3)
_cell_measurement_reflns_used    9155
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2730.8(10)
_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    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9561
_diffrn_measured_fraction_theta_max 0.9561
_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  0.027
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21716
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    2.848
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         7.59
_refine_diff_density_min         -2.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.328
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     651
_refine_ls_number_reflns         11963
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.0006
_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         0.1858
_reflns_number_gt                10739
_reflns_number_total             11963
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049680nsi20040630_030619_1.cif
_cod_data_source_block           '_[(PtCl)(btpyxa)](PF6).CHCl3([1](PF6).CHCl3)'
_cod_original_cell_volume        2730.7(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C54 H49 Cl4 F6 N6 O P Pt '
_cod_database_code               4311956