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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2007-11-10
_journal_date_accepted     2007-11-21
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     12
_journal_page_first     m3185
_journal_page_last     m3185
_journal_paper_category     QM
_journal_coeditor_code     SJ2429
_publ_contact_author_name     'Peng, San-Jun'
_publ_contact_author_address
;
Department of Chemistry and Environmental Engineering
Changsha University of Science and Technology
Changsha 410076
People's Republic of China
;
_publ_contact_author_email     sanjunpeng@163.com
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Bis[2-(cyclopropyliminomethyl)-6-methoxyphenolato]cobalt(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'San-Jun Peng'
;
Department of Chemistry and Environmental Engineering
Changsha University of Science and Technology
Changsha 410076
People's Republic of China
;
    'Cong-Shan Zhou'
;
Department of Chemistry and Chemical Engineering
Hunan Institute of Science and Technology
Hunan 414006
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis[2-(cyclopropyliminomethyl)-6-methoxyphenolato]cobalt(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C22 H24 Co N2 O4'
_chemical_formula_sum     'C22 H24 Co N2 O4'
_chemical_formula_iupac     '[Co (C11 H12 N O2)2]'
_chemical_formula_weight     439.36
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     20.249(2)
_cell_length_b     9.2011(11)
_cell_length_c     13.1621(16)
_cell_angle_alpha     90.00
_cell_angle_beta     126.1930(10)
_cell_angle_gamma     90.00
_cell_volume     1979.1(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5017
_cell_measurement_theta_min     2.4
_cell_measurement_theta_max     28.1
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     brown
_exptl_crystal_size_max     0.22
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.17
_exptl_crystal_density_diffrn     1.475
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     916
_exptl_absorpt_coefficient_mu     0.899
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.8268
_exptl_absorpt_correction_T_max     0.8622
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
                            'Bruker SMART APEX CCD area-detector diffractometer'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8175
_diffrn_reflns_av_R_equivalents     0.0221
_diffrn_reflns_av_sigmaI/netI     0.0202
_diffrn_reflns_theta_min     2.49
_diffrn_reflns_theta_max     27.50
_diffrn_reflns_theta_full     27.50
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -26
_diffrn_reflns_limit_h_max     26
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     2254
_reflns_number_gt     2078
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0325
_refine_ls_R_factor_gt     0.0300
_refine_ls_wR_factor_gt     0.0819
_refine_ls_wR_factor_ref     0.0834
_refine_ls_goodness_of_fit_ref     1.093
_refine_ls_restrained_S_all     1.093
_refine_ls_number_reflns     2254
_refine_ls_number_parameters     133
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0486P)²+0.7933P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     <0.001
_refine_ls_shift/su_mean     <0.001
_refine_diff_density_max     0.197
_refine_diff_density_min     -0.376
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Co' 'Co' 0.3494 0.9721
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SAINT (Bruker, 2000)'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution     'SHELXTL (Bruker, 2000)'
_computing_structure_refinement     'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics     'SHELXTL (Bruker, 2000)'
_computing_publication_material     'SHELXTL (Bruker, 2000)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Co Co1 0.0000 0.71997(3) 0.2500 0.03157(11) Uani d S 1 . .
    O O1 0.08279(7) 0.62869(12) 0.24704(10) 0.0369(2) Uani d . 1 . .
    O O2 0.18014(8) 0.43298(15) 0.25833(13) 0.0550(3) Uani d . 1 . .
    N N1 -0.04711(8) 0.83432(14) 0.09181(12) 0.0331(3) Uani d . 1 . .
    C C1 0.03581(10) 0.70545(16) 0.04006(15) 0.0334(3) Uani d . 1 . .
    C C2 0.08396(9) 0.61938(16) 0.14909(14) 0.0317(3) Uani d . 1 . .
    C C3 0.13761(9) 0.51622(18) 0.15175(16) 0.0385(3) Uani d . 1 . .
    C C4 0.14302(11) 0.5045(2) 0.05247(18) 0.0471(4) Uani d . 1 . .
    H H4 0.1786 0.4370 0.0564 0.056 Uiso calc R 1 . .
    C C5 0.09592(12) 0.5922(2) -0.05353(18) 0.0502(5) Uani d . 1 . .
    H H5 0.1004 0.5840 -0.1196 0.060 Uiso calc R 1 . .
    C C6 0.04346(11) 0.6897(2) -0.05995(17) 0.0441(4) Uani d . 1 . .
    H H6 0.0118 0.7476 -0.1313 0.053 Uiso calc R 1 . .
    C C7 -0.02386(10) 0.80863(17) 0.02062(15) 0.0354(3) Uani d . 1 . .
    H H7 -0.0490 0.8640 -0.0524 0.043 Uiso calc R 1 . .
    C C8 -0.11140(10) 0.94043(19) 0.04572(17) 0.0437(4) Uani d . 1 . .
    H H8 -0.1237 0.9997 -0.0254 0.052 Uiso calc R 1 . .
    C C9 -0.12263(12) 1.0133(2) 0.1354(2) 0.0559(5) Uani d . 1 . .
    H H9A -0.0857 0.9869 0.2236 0.067 Uiso calc R 1 . .
    H H9B -0.1398 1.1142 0.1197 0.067 Uiso calc R 1 . .
    C C10 -0.18265(11) 0.9026(2) 0.0465(2) 0.0530(5) Uani d . 1 . .
    H H10A -0.2363 0.9362 -0.0234 0.064 Uiso calc R 1 . .
    H H10B -0.1822 0.8088 0.0805 0.064 Uiso calc R 1 . .
    C C11 0.23366(14) 0.3262(3) 0.2667(2) 0.0714(7) Uani d . 1 . .
    H H11A 0.2030 0.2592 0.1978 0.107 Uiso calc R 1 . .
    H H11B 0.2595 0.2746 0.3448 0.107 Uiso calc R 1 . .
    H H11C 0.2747 0.3725 0.2630 0.107 Uiso calc R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Co1 0.03802(18) 0.03337(18) 0.03506(17) 0.000 0.02805(14) 0.000
    O1 0.0430(6) 0.0423(6) 0.0363(6) 0.0069(5) 0.0294(5) 0.0025(4)
    O2 0.0552(8) 0.0550(8) 0.0609(8) 0.0187(6) 0.0376(7) 0.0023(6)
    N1 0.0347(6) 0.0325(6) 0.0381(6) -0.0013(5) 0.0247(6) 0.0020(5)
    C1 0.0379(8) 0.0366(8) 0.0352(7) -0.0103(6) 0.0269(7) -0.0070(6)
    C2 0.0343(7) 0.0325(7) 0.0381(7) -0.0086(6) 0.0267(6) -0.0085(6)
    C3 0.0371(8) 0.0377(8) 0.0485(9) -0.0051(6) 0.0295(7) -0.0101(7)
    C4 0.0491(9) 0.0467(9) 0.0670(11) -0.0124(8) 0.0462(9) -0.0230(8)
    C5 0.0647(11) 0.0569(11) 0.0550(10) -0.0191(9) 0.0497(10) -0.0207(9)
    C6 0.0539(10) 0.0521(10) 0.0397(9) -0.0137(8) 0.0350(8) -0.0091(7)
    C7 0.0393(8) 0.0369(8) 0.0339(7) -0.0061(6) 0.0237(7) 0.0016(6)
    C8 0.0452(9) 0.0430(9) 0.0501(9) 0.0095(7) 0.0320(8) 0.0129(7)
    C9 0.0592(11) 0.0492(10) 0.0672(12) 0.0154(9) 0.0417(10) 0.0035(9)
    C10 0.0393(9) 0.0599(11) 0.0634(11) 0.0079(8) 0.0323(9) 0.0100(9)
    C11 0.0540(12) 0.0672(14) 0.0746(15) 0.0223(11) 0.0278(11) -0.0132(12)
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Co1 O1 2 1.8958(10) ?
    Co1 O1 . 1.8958(10) y
    Co1 N1 2 2.0016(13) ?
    Co1 N1 . 2.0016(13) y
    O1 C2 . 1.3063(17) ?
    O2 C3 . 1.367(2) ?
    O2 C11 . 1.418(2) ?
    N1 C7 . 1.295(2) ?
    N1 C8 . 1.443(2) ?
    C1 C2 . 1.409(2) ?
    C1 C6 . 1.421(2) ?
    C1 C7 . 1.436(2) ?
    C2 C3 . 1.427(2) ?
    C3 C4 . 1.379(2) ?
    C4 C5 . 1.392(3) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.354(3) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.487(3) ?
    C8 C10 . 1.490(2) ?
    C8 H8 . 0.9800 ?
    C9 C10 . 1.485(3) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 Co1 O1 2 . 127.41(7) y
    O1 Co1 N1 2 2 95.48(5) ?
    O1 Co1 N1 . 2 111.73(5) ?
    O1 Co1 N1 2 . 111.73(5) y
    O1 Co1 N1 . . 95.48(5) y
    N1 Co1 N1 2 . 116.57(8) y
    C2 O1 Co1 . . 125.52(10) ?
    C3 O2 C11 . . 117.19(17) ?
    C7 N1 C8 . . 116.26(14) ?
    C7 N1 Co1 . . 120.21(11) ?
    C8 N1 Co1 . . 123.39(10) ?
    C2 C1 C6 . . 119.86(15) ?
    C2 C1 C7 . . 123.83(14) ?
    C6 C1 C7 . . 116.29(16) ?
    O1 C2 C1 . . 124.30(13) ?
    O1 C2 C3 . . 118.46(14) ?
    C1 C2 C3 . . 117.24(13) ?
    O2 C3 C4 . . 125.05(15) ?
    O2 C3 C2 . . 114.00(14) ?
    C4 C3 C2 . . 120.95(16) ?
    C3 C4 C5 . . 120.91(16) ?
    C3 C4 H4 . . 119.5 ?
    C5 C4 H4 . . 119.5 ?
    C6 C5 C4 . . 119.66(15) ?
    C6 C5 H5 . . 120.2 ?
    C4 C5 H5 . . 120.2 ?
    C5 C6 C1 . . 121.35(18) ?
    C5 C6 H6 . . 119.3 ?
    C1 C6 H6 . . 119.3 ?
    N1 C7 C1 . . 128.25(15) ?
    N1 C7 H7 . . 115.9 ?
    C1 C7 H7 . . 115.9 ?
    N1 C8 C9 . . 119.61(15) ?
    N1 C8 C10 . . 118.42(15) ?
    C9 C8 C10 . . 59.83(13) ?
    N1 C8 H8 . . 115.8 ?
    C9 C8 H8 . . 115.8 ?
    C10 C8 H8 . . 115.8 ?
    C10 C9 C8 . . 60.17(13) ?
    C10 C9 H9A . . 117.8 ?
    C8 C9 H9A . . 117.8 ?
    C10 C9 H9B . . 117.8 ?
    C8 C9 H9B . . 117.8 ?
    H9A C9 H9B . . 114.9 ?
    C9 C10 C8 . . 60.00(13) ?
    C9 C10 H10A . . 117.8 ?
    C8 C10 H10A . . 117.8 ?
    C9 C10 H10B . . 117.8 ?
    C8 C10 H10B . . 117.8 ?
    H10A C10 H10B . . 114.9 ?
    O2 C11 H11A . . 109.5 ?
    O2 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    O2 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
