Alkyne Coupling Induced by a Trinuclear Ruthenium Cluster: Synthesis and Structure of Di-μ-carbonyl-hexacarbonyl-μ~3~-(1,2,3,4-tetraphenyl-1,3-butadiene-1,4-diyl)-triruthenium(2 <i>Ru</i>—<i>Ru</i>), [Ru~3~(CO)~8~(C~4~Ph~4~)]
Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Acta Crystallographica Section C 51 (1995) 1819–1822; doi:10.1107/S0108270195002861

data_2003866
_publ_contact_author
;
     Dr. Mario V. Capparelli
     Centro de Qu\'imica
     Instituto Venezolano de Investigaciones Cient\'ificas (IVIC)
     Apartado 21827
     Caracas 1020-A
     VENEZUELA
;
_publ_section_title
;Alkyne Coupling Induced by a Trinuclear Ruthenium Cluster: Synthesis and
 Structure of
 Di-\m-carbonyl-hexacarbonyl-\m~3~-(1,2,3,4-tetraphenyl-1,3-butadiene-1,4-diyl)-triruthenium(2
 <i>Ru</i>---<i>Ru</i>), [Ru~3~(CO)~8~(C~4~Ph~4~)]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1819
_journal_page_last               1822
_journal_paper_doi               10.1107/S0108270195002861
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C36 H20 O8 Ru3'
_chemical_formula_weight         883.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 95.77(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.556(3)
_cell_length_b                   18.694(4)
_cell_length_c                   18.465(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      42.1
_cell_measurement_theta_min      33.9
_cell_volume                     3281.9(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    DIRDIF92
_diffrn_ambient_temperature      295(5)
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6368
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        9.85
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.415
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'DIFABS, Walker & Stuart (1983)'
_exptl_crystal_colour            orange--yellow
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_description       plate
_exptl_crystal_F_000             1728.00
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.012
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         4924
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0336
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0490
_reflns_number_observed          4924
_reflns_number_total             6037
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            bk1098.cif
_cod_data_source_block           Ru3CO8C4Ph4
_cod_original_cell_volume        3281.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003866