Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]
Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Acta Crystallographica Section C 51 (1995) 1118–1120; doi:10.1107/S0108270194012928

data_2003528
_publ_section_title
;Hexacarbonyl-1\k^4^<i>C</i>,2\k^2^<i>C</i>-[\m-1\k<i>C</i>^6^:2(\h^5^)-6-methylfulvene]diruthenium(<i>Ru</i>---<i>Ru</i>),
 [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1118
_journal_page_last               1120
_journal_paper_doi               10.1107/S0108270194012928
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C13 H8 O6 Ru2'
_chemical_formula_weight         462.34
_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                 103.23(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.256(2)
_cell_length_b                   8.644(3)
_cell_length_c                   13.484(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      38.4
_cell_measurement_theta_min      32.4
_cell_volume                     1504.1(6)
_diffrn_ambient_temperature      295.0(10)
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3848
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        -8.25
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.030
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.771
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_description       prism
_exptl_crystal_F_000             888.00
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.67
_refine_diff_density_min         -0.64
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.962
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         2061
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0368
_refine_ls_shift/esd_max         0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0367
_reflns_number_observed          2061
_reflns_number_total             3696
_reflns_observed_criterion       '[I > 2\s(I)]'
_cod_data_source_file            bk1081.cif
_cod_data_source_block           Ru2
_cod_original_cell_volume        1504.0(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003528