Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†
Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Organometallics 27 (2008) 6557–; doi:10.1021/om800727q

data_4072287
_publ_section_title
;
 Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant
 Alkenyl Substituent. Part B: Internal Olefin Coordination to
 Ruthenium&#x2020;
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6557
_journal_paper_doi               10.1021/om800727q
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C27.5 H38 Cl3 N3 Ru'
_chemical_formula_weight         618.03
_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                 94.351(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8516(5)
_cell_length_b                   10.8712(2)
_cell_length_c                   20.0594(3)
_cell_measurement_reflns_used    17305
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      0.41
_cell_volume                     5621.20(17)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP (BrukerAXS, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '\w and \f 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  0.145
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17305
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_T_max  0.9500
_exptl_absorpt_correction_T_min  0.6479
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995 & 1997)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.209
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         6927
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0421
_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^)+(0.0220P)^2^+28.7557P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                5708
_reflns_number_total             6927
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800727q_si_004.cif
_cod_data_source_block           erk4126
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C27.50 H38 Cl3 N3 Ru'
_cod_database_code               4072287