A New Ruthenium Complex with an Electron-Donating Aminoindenyl Ligand for Fast Metal-Mediated Living Radical Polymerizations
Masami Kamigaito; Yasuhiro Watanabe; Tsuyoshi Ando; Mitsuo Sawamoto; Journal of the American Chemical Society 124 (2002) 9994–9995; doi:10.1021/ja0270470

data_4115081
_publ_section_title
;
 A New Ruthenium Complex with an Electron-Donating Aminoindenyl Ligand for
 Fast Metal-Mediated Living Radical Polymerizations
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9994
_journal_page_last               9995
_journal_paper_doi               10.1021/ja0270470
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C47 H42 Cl N P2 Ru'
_chemical_formula_weight         819.28
_chemical_name_systematic
; 
 ? 
;
_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                88.9910(10)
_cell_angle_beta                 75.3150(10)
_cell_angle_gamma                70.1200(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0011(4)
_cell_length_b                   12.5728(5)
_cell_length_c                   17.8807(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2039.48(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.888
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16868
_diffrn_reflns_theta_full        30.80
_diffrn_reflns_theta_max         30.80
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             844
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         11362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0486P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                10036
_reflns_number_total             11362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0270470_s2_2.cif
_cod_data_source_block           2
_cod_database_code               4115081