Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)
Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii; Inorganic Chemistry 43 (2004) 399–401; doi:10.1021/ic0350382

data_4310462
_publ_contact_author_address
;
     Department of Applied Chemistry, Faculty of Science and Engineering,
     Chuo University, Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan
;
_publ_contact_author_email       ' ishii@chem.chuo-u.ac.jp '
_publ_contact_author_fax         ' +81-3-3817-1895 '
_publ_contact_author_name        ' Youichi Ishii'
_publ_contact_author_phone       ' +81-3-3817-1901 '
_publ_section_title
;
 Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I),
 Ir(I), Ru(II), and Pd(II)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              399
_journal_page_last               401
_journal_paper_doi               10.1021/ic0350382
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C96 H110 N6 O16 P8 Ru2'
_chemical_formula_weight         2053.89
_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'
_audit_creation_date             'Mon Apr  7 22:36:57 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                92.54(1)
_cell_angle_beta                 104.713(9)
_cell_angle_gamma                96.186(10)
_cell_formula_units_Z            1
_cell_length_a                   11.134(1)
_cell_length_b                   14.932(2)
_cell_length_c                   15.744(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.1
_cell_volume                     2509.9(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_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_measured_fraction_theta_full 0.9997
_diffrn_measured_fraction_theta_max 0.9997
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11996
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_standards_decay_%        4.38
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.493
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.86
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.613
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     505
_refine_ls_number_reflns         11552
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.0765
_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         0.1731
_reflns_number_gt                7841
_reflns_number_total             11552
_cod_data_source_file            ic0350382si20031208_102540_5.cif
_cod_data_source_block           '[{Ru(MeCN)2(PPh3)2}2(P4O12)](5)'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C96 H110 N6 O16 P8 Ru2 '
_cod_database_code               4310462
_reflns_threshold_criterion      F^2^>2.0\s(F^2^)