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###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
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# 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 2.4.    #
#                                                                            #
# 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
_journal_date_recd_electronic     2009-04-04
_journal_date_accepted     2009-07-13
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2009
_journal_volume     65
_journal_issue      8
_journal_page_first     m325
_journal_page_last     m327
_journal_paper_category     FM
_journal_coeditor_code     GA3125
_publ_contact_author_name     'Anders Lennartson'
_publ_contact_author_address
;
Department of Chemistry
Goteborg University
SE-412 96 Goteborg
Sweden
;
_publ_contact_author_email     anle@chem.gu.se
_publ_contact_author_fax     '+46 (0)31 772 3840'
_publ_contact_author_phone     '+46 (0)31 772 3843'
_publ_section_title
;\
catena-Poly[[bis(acetylacetonato-κ²O,O')cobalt(II)]-μ-\
1,3-di-4-pyridylpropane-κ²N:N']: a one-dimensional
coordination polymer capable of forming clathrates with prochiral aldehydes
;
loop_
    _publ_author_name
    _publ_author_address
    'Lennartson, Anders'
;
Department of Chemistry
University of Gothenburg
SE-412 96 Göteborg
Sweden
;
    'Håkansson, Mikael'
;
Department of Chemistry
University of Gothenburg
SE-412 96 Göteborg
Sweden
;
data_I
_chemical_name_systematic
;
catena-Poly[[bis(acetylacetonato-κ²O,O')cobalt(II)]-
μ-1,3-di-4-pyridylpropane-κ²N:N']
;
_chemical_name_common     ?
_chemical_formula_moiety     'C23 H28 Co N2 O4'
_chemical_formula_sum     'C23 H28 Co N2 O4'
_chemical_formula_iupac     '[Co (C5 H7 O2)2 (C13 H14 N2)]'
_chemical_formula_weight     455.40
_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     14.902(4)
_cell_length_b     8.969(2)
_cell_length_c     18.434(5)
_cell_angle_alpha     90.00
_cell_angle_beta     112.397(9)
_cell_angle_gamma     90.00
_cell_volume     2277.9(11)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     6897
_cell_measurement_theta_min     2.72
_cell_measurement_theta_max     24.99
_cell_measurement_temperature     295(2)
_exptl_crystal_description     irregular
_exptl_crystal_colour     'light red'
_exptl_crystal_size_max     0.4
_exptl_crystal_size_mid     0.2
_exptl_crystal_size_min     0.1
_exptl_crystal_density_diffrn     1.328
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     956
_exptl_absorpt_coefficient_mu     0.783
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(CrystalClear; Rigaku, 2000)'
_exptl_absorpt_correction_T_min     0.669
_exptl_absorpt_correction_T_max     0.926
_exptl_special_details
;
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku R-AXIS IIC image-plate'
_diffrn_measurement_method     φ
_diffrn_detector_area_resol_mean     105
_diffrn_reflns_number     6897
_diffrn_reflns_av_R_equivalents     0.0301
_diffrn_reflns_av_sigmaI/netI     0.0230
_diffrn_reflns_theta_min     2.72
_diffrn_reflns_theta_max     24.99
_diffrn_reflns_theta_full     24.99
_diffrn_measured_fraction_theta_max     0.980
_diffrn_measured_fraction_theta_full     0.980
_diffrn_reflns_limit_h_min     -17
_diffrn_reflns_limit_h_max     17
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_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 >
σ(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     1970
_reflns_number_gt     1786
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0425
_refine_ls_R_factor_gt     0.0371
_refine_ls_wR_factor_gt     0.1129
_refine_ls_wR_factor_ref     0.1177
_refine_ls_goodness_of_fit_ref     0.976
_refine_ls_restrained_S_all     0.976
_refine_ls_number_reflns     1970
_refine_ls_number_parameters     140
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0932P)²+0.5514P] 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     0.014
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.215
_refine_diff_density_min     -0.250
_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     'CrystalClear (Rigaku, 2000)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2000)'
_computing_data_reduction     'CrystalClear (Rigaku, 2000)'
_computing_structure_solution     'SIR92 (Altomare et al.,  1993)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and PLUTON (Spek, 2009)
;
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
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 1.0000 0.5000 0.5000 0.0542(2) Uani d S 1 . .
    O O1 1.05915(11) 0.57279(16) 0.42244(9) 0.0602(4) Uani d . 1 . .
    O O2 1.03432(11) 0.70182(16) 0.55771(9) 0.0602(4) Uani d . 1 . .
    N N1 0.85669(12) 0.5909(2) 0.42004(11) 0.0605(5) Uani d . 1 . .
    C C1 1.1338(2) 0.7269(3) 0.35847(15) 0.0767(7) Uani d . 1 . .
    H H1A 1.1639 0.6386 0.3488 0.115 Uiso calc R 1 . .
    H H1B 1.1800 0.8070 0.3731 0.115 Uiso calc R 1 . .
    H H1C 1.0795 0.7536 0.3118 0.115 Uiso calc R 1 . .
    C C2 1.09900(13) 0.6977(2) 0.42406(12) 0.0522(5) Uani d . 1 . .
    C C3 1.11304(16) 0.8071(2) 0.48057(13) 0.0602(5) Uani d . 1 . .
    H H3 1.1475 0.8911 0.4766 0.072 Uiso calc R 1 . .
    C C4 1.08130(13) 0.8051(2) 0.54260(12) 0.0508(5) Uani d . 1 . .
    C C5 1.1025(2) 0.9398(3) 0.59583(15) 0.0698(6) Uani d . 1 . .
    H H5A 1.0425 0.9817 0.5944 0.105 Uiso calc R 1 . .
    H H5B 1.1368 1.0128 0.5783 0.105 Uiso calc R 1 . .
    H H5C 1.1414 0.9103 0.6485 0.105 Uiso calc R 1 . .
    C C6 0.84230(17) 0.6495(3) 0.34991(13) 0.0697(6) Uani d . 1 . .
    H H6 0.8919 0.6417 0.3312 0.084 Uiso calc R 1 . .
    C C7 0.75795(17) 0.7208(3) 0.30386(14) 0.0711(6) Uani d . 1 . .
    H H7 0.7522 0.7604 0.2557 0.085 Uiso calc R 1 . .
    C C8 0.68168(15) 0.7340(2) 0.32870(13) 0.0584(5) Uani d . 1 . .
    C C9 0.69650(17) 0.6708(3) 0.40065(16) 0.0724(6) Uani d . 1 . .
    H H9 0.6473 0.6743 0.4200 0.087 Uiso calc R 1 . .
    C C10 0.78293(17) 0.6030(3) 0.44390(16) 0.0725(6) Uani d . 1 . .
    H H10 0.7905 0.5633 0.4925 0.087 Uiso calc R 1 . .
    C C11 0.59061(17) 0.8163(3) 0.28293(15) 0.0672(6) Uani d . 1 . .
    H H11A 0.5996 0.8671 0.2397 0.081 Uiso calc R 1 . .
    H H11B 0.5803 0.8920 0.3165 0.081 Uiso calc R 1 . .
    C C12 0.5000 0.7208(3) 0.2500 0.0590(7) Uani d S 1 . .
    H H12 0.4958 0.6573 0.2912 0.071 Uiso calc PR 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 0.0550(3) 0.0477(3) 0.0693(3) -0.01422(14) 0.0342(2) -0.00772(15)
    O1 0.0635(8) 0.0563(9) 0.0710(9) -0.0157(7) 0.0372(7) -0.0090(7)
    O2 0.0680(9) 0.0517(8) 0.0716(9) -0.0137(7) 0.0386(7) -0.0081(7)
    N1 0.0547(9) 0.0555(10) 0.0756(12) -0.0116(8) 0.0298(8) -0.0103(8)
    C1 0.0893(17) 0.0809(16) 0.0711(15) -0.0204(14) 0.0432(14) -0.0010(12)
    C2 0.0448(9) 0.0557(11) 0.0566(11) -0.0042(8) 0.0200(8) 0.0051(8)
    C3 0.0647(12) 0.0493(11) 0.0712(13) -0.0181(9) 0.0309(10) -0.0009(9)
    C4 0.0476(10) 0.0435(10) 0.0587(11) -0.0033(8) 0.0172(8) 0.0011(8)
    C5 0.0837(15) 0.0518(12) 0.0747(14) -0.0125(11) 0.0312(12) -0.0084(10)
    C6 0.0592(12) 0.0950(18) 0.0593(12) -0.0068(12) 0.0275(10) -0.0158(11)
    C7 0.0657(13) 0.0961(18) 0.0539(12) -0.0107(12) 0.0255(11) -0.0086(11)
    C8 0.0583(11) 0.0506(11) 0.0659(12) -0.0151(9) 0.0232(10) -0.0094(9)
    C9 0.0601(12) 0.0778(15) 0.0900(16) -0.0024(11) 0.0409(12) 0.0144(13)
    C10 0.0620(12) 0.0767(15) 0.0892(16) -0.0016(11) 0.0405(12) 0.0198(13)
    C11 0.0699(14) 0.0571(12) 0.0758(14) -0.0076(10) 0.0289(11) -0.0011(10)
    C12 0.0547(15) 0.0577(16) 0.0688(18) 0.000 0.0285(14) 0.000
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    C1 C2 . 1.509(3) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C2 O1 . 1.263(2) ?
    C2 C3 . 1.388(3) ?
    C3 C4 . 1.394(3) ?
    C3 H3 . 0.9300 ?
    C4 O2 . 1.255(2) ?
    C4 C5 . 1.511(3) ?
    C5 H5A . 0.9600 ?
    C5 H5B . 0.9600 ?
    C5 H5C . 0.9600 ?
    C6 N1 . 1.335(3) ?
    C6 C7 . 1.377(4) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.383(3) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.380(3) ?
    C8 C11 . 1.492(3) ?
    C9 C10 . 1.372(3) ?
    C9 H9 . 0.9300 ?
    C10 N1 . 1.335(3) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.517(3) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 H12 . 0.9700 ?
    Co1 O1 . 2.0512(15) y
    Co1 O2 . 2.0629(14) y
    Co1 N1 . 2.2357(19) y
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
    C2 C1 H1A . . 109.5 ?
    C2 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    C2 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    O1 C2 C3 . . 125.45(18) ?
    O1 C2 C1 . . 115.92(19) ?
    C3 C2 C1 . . 118.63(19) ?
    C2 C3 C4 . . 127.28(18) ?
    C2 C3 H3 . . 116.4 ?
    C4 C3 H3 . . 116.4 ?
    O2 C4 C3 . . 125.70(19) ?
    O2 C4 C5 . . 116.23(19) ?
    C3 C4 C5 . . 118.06(18) ?
    C4 C5 H5A . . 109.5 ?
    C4 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C4 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    N1 C6 C7 . . 123.5(2) ?
    N1 C6 H6 . . 118.2 ?
    C7 C6 H6 . . 118.2 ?
    C6 C7 C8 . . 120.5(2) ?
    C6 C7 H7 . . 119.7 ?
    C8 C7 H7 . . 119.7 ?
    C9 C8 C7 . . 115.6(2) ?
    C9 C8 C11 . . 121.6(2) ?
    C7 C8 C11 . . 122.7(2) ?
    C10 C9 C8 . . 120.8(2) ?
    C10 C9 H9 . . 119.6 ?
    C8 C9 H9 . . 119.6 ?
    N1 C10 C9 . . 123.6(2) ?
    N1 C10 H10 . . 118.2 ?
    C9 C10 H10 . . 118.2 ?
    C8 C11 C12 . . 115.22(19) ?
    C8 C11 H11A . . 108.5 ?
    C12 C11 H11A . . 108.5 ?
    C8 C11 H11B . . 108.5 ?
    C12 C11 H11B . . 108.5 ?
    H11A C11 H11B . . 107.5 ?
    C11 C12 C11 . 2_655 111.3(3) ?
    C11 C12 H12 . . 109.4 ?
    O1 Co1 O1 . 5_766 180.0 ?
    O1 Co1 O2 . 5_766 90.44(6) y
    O1 Co1 O2 . . 89.56(6) y
    O2 Co1 O2 5_766 . 180.00(4) ?
    O1 Co1 N1 . 5_766 91.11(7) y
    O2 Co1 N1 . 5_766 89.60(6) y
    O1 Co1 N1 . . 88.89(7) y
    O2 Co1 N1 . . 90.40(6) y
    N1 Co1 N1 5_766 . 180.0 ?
    C6 N1 C10 . . 116.0(2) ?
    C6 N1 Co1 . . 122.87(15) ?
    C10 N1 Co1 . . 120.80(16) ?
    C2 O1 Co1 . . 126.08(13) ?
    C4 O2 Co1 . . 125.67(14) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_D
    _geom_hbond_site_symmetry_H
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C11 H11B O1 3_545 3_545 . 0.97 2.64 3.612(3) 172.8
