Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond
Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen; Organometallics 30 (2011) 1311–; doi:10.1021/om200095v

data_4064425
_publ_section_title
;
 Facile Direct Insertion of Nitrosonium Ion (NO+) into a
 Ruthenium&#x2212;Aryl Bond
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1311
_journal_paper_doi               10.1021/om200095v
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C22 H29 F6 N2 P Ru S3'
_chemical_formula_weight         663.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 117.223(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.5700(9)
_cell_length_b                   10.1893(2)
_cell_length_c                   22.0909(6)
_cell_measurement_reflns_used    11234
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.3925
_cell_measurement_theta_min      3.6195
_cell_volume                     5718.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14523
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.63
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Oxford Diffraction Ltd'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
;
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4972
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0223
_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^)+(0.0399P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0652
_reflns_number_gt                4175
_reflns_number_total             4972
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200095v_si_002.cif
_cod_data_source_block           1-BuNC
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4064425