Vinylidene rutheniums with an electrostructurally-flexible NO ligand and their ruthenacyclobutene formation.
Yamaguchi, Mamoru; Arikawa, Yasuhiro; Nishimura, Yoshimasa; Umakoshi, Keisuke; Onishi, Masayoshi; Chemical communications (Cambridge, England) 34 (2009) 2911–2913; doi:10.1039/b821561h

data_7104430
_publ_section_title
;
 Vinylidene rutheniums with an electrostructurally-flexible NO ligand
 and their ruthenacyclobutene formation.
;
_journal_issue                   20
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2911
_journal_page_last               2913
_journal_paper_doi               10.1039/b821561h
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C45 H38 Cl N O P2 Ru, C2 H4 Cl4 '
_chemical_formula_sum            'C47 H42 Cl5 N O P2 Ru'
_chemical_formula_weight         977.14
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.112(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.523(3)
_cell_length_b                   22.815(7)
_cell_length_c                   10.988(2)
_cell_measurement_reflns_used    4004
_cell_measurement_temperature    298(1)
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.1
_cell_volume                     2324.9(11)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      298(1)
_diffrn_measured_fraction_theta_full 0.9679
_diffrn_measured_fraction_theta_max 0.9679
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19792
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.16
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     266
_refine_ls_number_reflns         5301
_refine_ls_R_factor_all          0.1348
_refine_ls_R_factor_gt           0.0703
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[?^2^(Fo^2^) + (0.02000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1711
_refine_ls_wR_factor_ref         0.1910
_reflns_number_gt                2441
_reflns_number_total             5302
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b821561h.txt
_cod_data_source_block           0459
_cod_original_formula_sum        'C47 H42 Cl5 N O P2 Ru '
_cod_database_code               7104430