Some reactions of allenylidene-ruthenium cluster carbonyls with alkynes
Michael I. Bruce; Natasha N. Zaitseva; Brian W. Skelton; Allan H. White; J. Chem. Soc., Dalton Trans.  (2002) 1678–1686; doi:10.1039/b111088h

data_7011373
_publ_section_title
;
 Some reactions of allenylidene-ruthenium cluster carbonyls with
 alkynes
;
_journal_issue                   8
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1678
_journal_page_last               1686
_journal_paper_doi               10.1039/b111088h
_journal_year                    2002
_chemical_formula_sum            'C30 H26 O11 Ru3 Si'
_chemical_formula_weight         893.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             01-08-27
_audit_creation_method           Xtal3.6
_cell_angle_alpha                80.98(2)
_cell_angle_beta                 76.48(3)
_cell_angle_gamma                89.61(2)
_cell_formula_units_Z            2
_cell_length_a                   13.398(4)
_cell_length_b                   13.138(3)
_cell_length_c                   10.210(4)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.4
_cell_measurement_theta_min      15.8
_cell_volume                     1724.9(10)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .077
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6765
_diffrn_reflns_theta_max         25.
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  .85
_exptl_absorpt_correction_T_min  .79
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
XTAL absorb                
;
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_description       plate
_exptl_crystal_F_000             880
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .19
_exptl_crystal_size_min          .09
_refine_diff_density_max         1.41
_refine_diff_density_min         -1.31
_refine_ls_goodness_of_fit_all   1.29
_refine_ls_goodness_of_fit_ref   1.63
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .080
_refine_ls_R_factor_gt           .057
_refine_ls_shift/su_max          .068
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .070
_refine_ls_wR_factor_ref         .066
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              11
_reflns_limit_l_min              0
_reflns_number_gt                4326
_reflns_number_observed          4026
_reflns_number_total             6063
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b111088h.txt
_cod_data_source_block           br570
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C30 H26 O11 Ru3 Si1'
_cod_database_code               7011373