Versatile Coordination Modes and Transformations of the Cyclooctatriene Ligand in Ru(C8H10)L3(L = Tertiary Phosphine)
Komiya, Sanshiro; Planas, Jose Giner; Onuki, Koji; Lu, Zhaobin; Hirano, Masafumi; Organometallics 19 (2000) 4051–; doi:10.1021/om991014k

data_4089713
_publ_section_title
;
 Versatile Coordination Modes and Transformations of the Cyclooctatriene
 Ligand in Ru(C8H10)L3(L = Tertiary Phosphine)
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4051
_journal_paper_doi               10.1021/om991014k
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         'C32 H43 P3 Ru '
_chemical_formula_sum            'C32 H43 P3 Ru'
_chemical_formula_weight         621.68
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.49(1)
_cell_angle_beta                 91.32(2)
_cell_angle_gamma                83.02(1)
_cell_formula_units_Z            2
_cell_length_a                   11.143(2)
_cell_length_b                   14.934(2)
_cell_length_c                   9.254(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     1523.7(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_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  0.024
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7354
_diffrn_standards_decay_%        13.59
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.195
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4723
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          7.9580
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00001|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                4723
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om991014k.cif
_cod_data_source_block           complex3b
_cod_depositor_comments
;
 Corrected the values of the '_diffrn_measurement_method',
 '_diffrn_radiation_type', '_refine_ls_weighting_details'
 and '_reflns_threshold_expression' data items by replacing a
 sequence of malformed symbols with the backslash symbol ('\')
 after consulting the original publication.

 Antanas Vaitkus,
 2019-12-11
;
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C32 H43 P3 Ru '
_cod_database_code               4089713