Green and Efficient Synthesis of Bidentate Schiff Base Ru Catalysts for Olefin Metathesis
Giovanni Occhipinti; Vidar R. Jensen; Hans-René Bjørsvik; Journal of Organic Chemistry 72 (2007) 3561–3564; doi:10.1021/jo070164z

data_4022910
_publ_section_title
;
 Green and Efficient Synthesis of Bidentate Schiff
 Base Ru Catalysts for Olefin Metathesis
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3561
_journal_page_last               3564
_journal_paper_doi               10.1021/jo070164z
_journal_volume                  72
_journal_year                    2007
_chemical_formula_sum            'C18 H33 Ag Cl P'
_chemical_formula_weight         423.73
_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                99.666(1)
_cell_angle_beta                 93.009(1)
_cell_angle_gamma                114.726(1)
_cell_formula_units_Z            2
_cell_length_a                   8.7140(3)
_cell_length_b                   9.3235(3)
_cell_length_c                   13.3131(5)
_cell_measurement_temperature    568(2)
_cell_volume                     959.37(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      568(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0156
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16304
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    1.267
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             440
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.598
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         5609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0216
_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^)+(0.0233P)^2^+0.2756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0564
_reflns_number_gt                5002
_reflns_number_total             5609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo070164zsi20070127_040743.cif
_cod_data_source_block           occhi4
_cod_database_code               4022910