Synthesis of Mono-, Di-, and Triruthenium(0) Complexes Having a Triphenylene Ligand†
Shibasaki, Takao; Komine, Nobuyuki; Hirano, Masafumi; Komiya, Sanshiro; Organometallics 25 (2006) 523–; doi:10.1021/om050875s

data_4074777
_publ_section_title
;
 Synthesis of Mono-, Di-, and Triruthenium(0) Complexes Having a
 Triphenylene Ligand&#x2020;
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              523
_journal_paper_doi               10.1021/om050875s
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C26 H24 Ru1 '
_chemical_formula_sum            'C26 H24 Ru'
_chemical_formula_weight         439.56
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.75(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.594(9)
_cell_length_b                   13.63(2)
_cell_length_c                   8.87(1)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     944(2)
_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    SIR88
_diffrn_measured_fraction_theta_full 1.0373
_diffrn_measured_fraction_theta_max 1.0373
_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  0.054
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2395
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.43
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.364
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.738
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.18
_refine_diff_density_min         -1.08
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.335
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1668
_refine_ls_R_factor_gt           0.0774
_refine_ls_shift/su_max          3.0252
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00819|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1290
_reflns_number_gt                1668
_reflns_number_total             2340
_reflns_threshold_expression     F^2^>5.0\s(F^2^)
_cod_data_source_file            om050875ssi20051128_055903.cif
_cod_data_source_block           complex2
_cod_original_cell_volume        943(2)
_cod_original_formula_sum        'C26 H24 Ru1 '
_cod_database_code               4074777