A new polymorph of a cobalt(III) Schiff base complex exhibits a one-dimensional C—H···O hydrogen-bonded extended structure with helical 2~1~ symmetry
Munro, Orde Q.; Govender, Santham; Acta Crystallographica Section C 63 (2007) m150–m152; doi:10.1107/S0108270107007494

data_2015911
_publ_section_title
;
 A new polymorph of a cobalt(III) Schiff base complex exhibits a
 one-dimensional C---H&#x00B7;&#x00B7;&#x00B7;O hydrogen-bonded
 extended structure with helical 2~1~ symmetry
;
_journal_coeditor_code           JZ3056
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m150
_journal_page_last               m152
_journal_paper_doi               10.1107/S0108270107007494
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C2 H3 O2) (C20 H23 N3 O2)]'
_chemical_formula_moiety         'C22 H26 Co N3 O4'
_chemical_formula_sum            'C22 H26 Co N3 O4'
_chemical_formula_weight         455.39
_chemical_name_systematic
;
acetato(2,2'-{iminobis[(<i>E</i>)-propane-3,1-
diylnitrilomethylylidyne]}diphenolato)cobalt(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.169(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.730(2)
_cell_length_b                   20.439(3)
_cell_length_c                   13.321(2)
_cell_measurement_reflns_used    1765
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.7782
_cell_measurement_theta_min      4.7251
_cell_volume                     2040.6(7)
_computing_cell_refinement       'CrysAlisRED (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlisCCD (Oxford Diffraction, 2003)'
_computing_data_reduction        CrysAlisRED
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'Oxford Xcalibur2 CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18148
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         31.85
_diffrn_reflns_theta_min         4.75
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.90399
_exptl_absorpt_correction_T_min  0.68797
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
[CrysAlis RED (Oxford Diffraction, 2003);
analytical numerical absorption correction using a multifaceted
crystal model based on expressions derived by Clark & Reid (1995)]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.627
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         6468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0339P)^2^+1.8518P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                5817
_reflns_number_total             6468
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz3056.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015911
_cod_database_fobs_code          2015911