Syntheses and reactions of some cluster complexes containing C4 ligands with iron, ruthenium and cobalt carbonyls
Bruce, Michael I.; Low, Paul J.; Zaitseva, Natasha N.; Kahlal, Samia; Halet, Jean-François; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2000) 2939–; doi:10.1039/b002406f

data_7009633
_publ_section_title
;
 Syntheses and reactions of some cluster complexes containing C4
 ligands with iron, ruthenium and cobalt carbonyls
;
_journal_issue                   17
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2939
_journal_paper_doi               10.1039/b002406f
_journal_year                    2000
_chemical_formula_sum            'C21 H6 O12 Ru3 W'
_chemical_formula_weight         937.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.31(5)
_cell_angle_beta                 108.93(4)
_cell_angle_gamma                104.19(6)
_cell_formula_units_Z            2
_cell_length_a                   12.894(9)
_cell_length_b                   11.513(10)
_cell_length_c                   10.121(3)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      21.5
_cell_volume                     1314.1(17)
_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
;
_diffrn_measurement_method       '2\Q-\w scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6010
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    6.111
_exptl_absorpt_correction_T_max  0.37
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
 XTAL absorb            
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.369
_exptl_crystal_description       prism
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.45
_refine_diff_density_min         -1.25
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       1180(186)
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   2.10
_refine_ls_goodness_of_fit_ref   2.13
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           F
_refine_ls_number_constraints    0
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5047
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .062
_refine_ls_R_factor_gt           0.056
_refine_ls_shift/su_max          .028
_refine_ls_shift/su_mean         .0028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .077
_refine_ls_wR_factor_ref         0.076
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              12
_reflns_limit_l_min              0
_reflns_number_gt                5047
_reflns_number_observed          6010
_reflns_number_total             6010
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b002406f.txt
_cod_data_source_block           br525
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C21 H6 O12 Ru3 W1'
_cod_database_code               7009633