Di-μ-nitrosyl-bis[(η^5^-pentamethylcyclopentadienyl)ruthenium(0)](<i>Ru{—</i>Ru})
Pearsal, Matthew; Gembicky, Milan; Dominiak, Paulina; Larsen, Anna; Coppens, Philip; Acta Crystallographica Section E 63 (2007) m2596–m2596; doi:10.1107/S1600536807045321

data_2215461
_publ_section_title
Di-\m-nitrosyl-bis[(\h^5^-pentamethylcyclopentadienyl)ruthenium(0)](<i>Ru{---</i>Ru})
_journal_coeditor_code           ER2041
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2596
_journal_page_last               m2596
_journal_paper_doi               10.1107/S1600536807045321
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ru2 (C10 H15)2 (N O)2]'
_chemical_formula_moiety         'C20 H30 N2 O2 Ru2'
_chemical_formula_sum            'C20 H30 N2 O2 Ru2'
_chemical_formula_weight         532.60
_chemical_name_common            Cp*Ru(m-NO)2RuCp*
_chemical_name_systematic
;
Di-\m-nitrosyl-bis[(\h^5^-pentamethylcyclopentadienyl)ruthenium(0)](Ru---Ru)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.2090(10)
_cell_angle_beta                 89.2200(10)
_cell_angle_gamma                85.3730(10)
_cell_formula_units_Z            4
_cell_length_a                   10.7181(3)
_cell_length_b                   10.7364(3)
_cell_length_c                   17.9238(5)
_cell_measurement_reflns_used    7139
_cell_measurement_temperature    90.0(10)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     2055.48(10)
_computing_cell_refinement       'APEX2 (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90.0(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29941
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.485
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.123
_refine_diff_density_min         -2.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.259
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         10102
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.258
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0465P)^2^+11.2766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                9591
_reflns_number_total             10102
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            er2041.cif
_cod_data_source_block           I
_cod_database_code               2215461
_cod_database_fobs_code          2215461