Ruthenium-mediated amidation of saturated C–H bonds and crystal structure of a bis(tosyl)amidoruthenium(III) complex of 1,4,7-trimethyl-1,4,7-triazacyclononane
Au, Sze-Man; Zhang, Suo-Bo; Fung, Wai-Hong; Yu, Wing-Yiu; Che, Chi-Ming; Cheung, Kung-Kai; Chemical Communications  (1998) 2677–; doi:10.1039/a808048h

data_7110393
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Ruthenium-mediated amidation of saturated C--H bonds and crystal
 structure of a bis(tosyl)amidoruthenium(III) complex of
 1,4,7-trimethyl-1,4,7-triazacyclononane
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              2677
_journal_paper_doi               10.1039/a808048h
_journal_year                    1998
_chemical_formula_moiety         'C23 H38 N5 O5 S2 Ru '
_chemical_formula_sum            'C23 H38 N5 O5 Ru S2'
_chemical_formula_weight         629.77
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Aug 27 16:18:11 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 108.49(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.129(2)
_cell_length_b                   15.969(3)
_cell_length_c                   16.202(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2976.1(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      301.2
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5144
_diffrn_reflns_theta_max         25.58
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             1308.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.05
_refine_diff_density_min         -0.45
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.679
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         2741
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0476
_refine_ls_shift/esd_max         0.0120
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0502
_reflns_number_observed          2741
_reflns_number_total             5144
_reflns_observed_criterion       3.00
_cod_data_source_file            808048hsup1.cif
_cod_data_source_block           marip112
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C23 H38 N5 O5 S2 Ru '
_cod_database_code               7110393