Formation and Structure of a Cobalt(III) Complex Containing a Nonstabilized Pyridinium Ylide Ligand
Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Demitri, Nicola; Geremia, Silvano; Organometallics 33 (2014) 6076–; doi:10.1021/om5007374

data_4084510
_publ_section_title
;
 Formation and Structure of a Cobalt(III) Complex Containing a
 Nonstabilized Pyridinium Ylide Ligand
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6076
_journal_paper_doi               10.1021/om5007374
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C24 H25 Cl Co N3 O2'
_chemical_formula_weight         481.85
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ac 2bc'
_symmetry_space_group_name_H-M   'P n a a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.227(1)
_cell_length_b                   24.325(2)
_cell_length_c                   24.449(2)
_cell_measurement_temperature    90(2)
_cell_volume                     4298.1(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_wavelength     0.77491
_diffrn_reflns_av_unetI/netI     0.0836
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2904
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    1.194
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.567
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         2904
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.077
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1593P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1895
_refine_ls_wR_factor_ref         0.1919
_reflns_number_gt                2705
_reflns_number_total             2904
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om5007374_si_001.cif
_cod_data_source_block           co_ilide
_cod_depositor_comments          'Adding full bibliography for 4084510.cif.'
_cod_database_code               4084510