Crystal structure of (η^5^-indenyl) (η^5^-cyclopentadienyl) pentacarbonyl molybdenum ruthenium (Mo-Ru), (C~5~H~5~)(CO)~2~MoRu (CO)~3~(C~9~H~7~)
T. Straub; M. Nissinen; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 133–134; doi:

data_8101722
_publ_section_title
;
Crystal structure of (\h^5^-indenyl) (\h^5^-cyclopentadienyl) 
pentacarbonyl molybdenum ruthenium (Mo-Ru), (C~5~H~5~)(CO)~2~MoRu
(CO)~3~(C~9~H~7~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              133
_journal_page_last               134
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         'C12 H7 Mo O3, C7 H5 O2 Ru'
_chemical_formula_sum            'C19 H12 Mo O5 Ru'
_chemical_formula_weight         517.30
_chemical_name_common            Ind*(CO)3MoRu(CO)2Cp
_chemical_name_systematic
;
 (\h^5^-indenyl) (\h^5^-cyclopentadienyl) pentacarbonylcarbonyl 
molybdenum ruthenium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.046(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0098(2)
_cell_length_b                   8.7334(2)
_cell_length_c                   19.4450(6)
_cell_measurement_reflns_used    3185
_cell_measurement_temperature    173.0(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      1.018
_cell_volume                     1687.04(7)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius 1999)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173.0(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9243
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.666
_exptl_absorpt_correction_T_max  0.9167
_exptl_absorpt_correction_T_min  0.5553
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, R H: Acta Cryst A51 (1995) 33-38'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.037
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         2936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0230P)^2^+1.7965P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0565
_reflns_number_gt                2700
_reflns_number_total             2936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1461.cff
_cod_data_source_block           ts001
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               8101722