#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006344.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2006344
loop_
_publ_author_name
'Corkery, R. W.'
'Hockless, D. C. R.'
_publ_contact_author
;
Dr. David C. R. Hockless
Research School of Chemistry
Institute of Advanced Studies
Australian National University
Canberra
ACT 0200
Australia
;
_publ_section_title
;
 A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic
 Acid
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              840
_journal_page_last               843
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Co2 (C18 H35 O2)4 (C5 H5 N)4 (H2 O)]'
_chemical_formula_moiety         'C92 H162 Co2 N4 O9 '
_chemical_formula_sum            'C92 H162 Co2 N4 O9'
_chemical_formula_weight         1586.18
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'by teXsan v1.7-1'
_cell_angle_alpha                90
_cell_angle_beta                 91.039(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.214(3)
_cell_length_b                   16.145(2)
_cell_length_c                   44.872(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213.0(10)
_cell_measurement_theta_max      45.5
_cell_measurement_theta_min      37.7
_cell_volume                     9571(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1992a)
;
_computing_data_reduction
'TEXSAN  (Molecular Structure Corporation, 1992b)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution
;
SIR92 (Altomare et al., 1994), DIRDIF92 (Beurskens et al., 1992)
;
_diffrn_ambient_temperature      213.0(10)
_diffrn_measurement_device       AFC6R
_diffrn_measurement_method       '\w/2-\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  7.98
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            7801
_diffrn_reflns_theta_max         60.17
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.120
_exptl_absorpt_correction_T_max  0.607
_exptl_absorpt_correction_T_min  0.232
_exptl_absorpt_correction_type
;
empirical based on azimuthal (\y) scans (North, Phillips & Matthews, 1968)
;
_exptl_absorpt_process_details
;
based on azimuthal (\y) scans (North, Phillips & Matthews, 1968)
;
_exptl_crystal_colour            'pale red'
_exptl_crystal_density_diffrn    1.101
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3472.00
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.306
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         3667
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0510
_refine_ls_shift/esd_max         0.0172
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 4F~o~^2^/[\s^2^(F~o~^2^)+(0.019F~o~^2^)^2^]
;
_refine_ls_wR_factor_obs         0.0607
_reflns_number_observed          3667
_reflns_number_total             7421
_reflns_observed_criterion       I>3.00\s(I)
_[local]_cod_data_source_file    ta1127.cif
_[local]_cod_data_source_block   RWC1
_[local]_cod_cif_authors_sg_H-M  'C 2/c      '
_[local]_cod_chemical_formula_sum_orig 'C92 H162 Co2 N4 O9 '
_cod_original_cell_volume        9571.0(10)
_cod_database_code               2006344
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   +x,   +y,   +z'
'   -x,   +y,1/2-z'
'   -x,   +y,1/2-z'
'   -x,   -y,   -z'
'   -x,   -y,   -z'
'   +x,   -y,1/2+z'
'   +x,   -y,1/2+z'
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 0.0360(6) 0.0373(6) 0.0308(5) -0.0029(6) -0.0009(4) 0.0027(6)
O1 0.039(4) 0.020(3) 0.038(3) 0.0000 -0.005(3) 0.0000
O11 0.037(3) 0.049(3) 0.048(3) -0.010(3) 0.008(2) -0.015(2)
O12 0.038(3) 0.050(3) 0.031(2) -0.005(2) 0.006(2) -0.006(2)
O21 0.049(3) 0.059(3) 0.044(3) -0.022(3) -0.003(2) 0.016(3)
O22 0.087(4) 0.095(4) 0.088(4) -0.066(4) -0.052(3) 0.059(3)
N1 0.042(4) 0.051(4) 0.039(3) -0.013(3) 0.003(3) 0.007(3)
N2 0.044(4) 0.047(4) 0.049(4) 0.018(3) -0.001(3) 0.004(3)
C11 0.061(5) 0.046(5) 0.047(4) -0.013(4) -0.007(4) 0.012(4)
C12 0.059(6) 0.074(6) 0.060(5) -0.035(5) -0.006(4) 0.009(5)
C13 0.068(6) 0.090(7) 0.088(7) -0.050(5) -0.003(5) 0.004(6)
C14 0.064(6) 0.120(8) 0.084(7) -0.049(6) 0.013(5) 0.016(6)
C15 0.054(5) 0.099(7) 0.065(6) -0.033(5) 0.007(5) 0.004(5)
C21 0.062(6) 0.086(7) 0.070(6) 0.016(5) -0.001(5) 0.018(5)
C22 0.076(7) 0.089(8) 0.124(9) 0.061(6) 0.024(7) 0.018(7)
C23 0.089(7) 0.067(7) 0.106(8) 0.033(6) 0.048(7) -0.001(6)
C24 0.083(7) 0.067(6) 0.076(6) 0.035(5) 0.026(5) 0.001(5)
C25 0.062(5) 0.052(5) 0.050(4) 0.019(5) 0.001(4) -0.006(4)
C101 0.044(5) 0.027(4) 0.030(4) -0.007(4) 0.007(3) 0.005(3)
C102 0.049(4) 0.033(4) 0.036(4) -0.007(4) 0.006(3) 0.003(3)
C103 0.053(5) 0.037(4) 0.035(4) 0.003(4) 0.006(3) 0.002(3)
C104 0.045(4) 0.041(4) 0.036(4) -0.001(4) 0.003(3) -0.001(3)
C105 0.050(5) 0.054(5) 0.039(4) -0.010(4) 0.007(3) 0.002(4)
C106 0.046(4) 0.049(5) 0.045(4) -0.007(4) 0.004(3) 0.007(4)
C107 0.044(4) 0.047(5) 0.047(4) -0.003(4) 0.004(3) 0.010(4)
C108 0.045(5) 0.049(5) 0.046(4) -0.009(4) 0.006(4) -0.002(4)
C109 0.045(5) 0.047(5) 0.051(4) -0.007(4) 0.003(4) 0.018(4)
C110 0.048(5) 0.044(5) 0.045(4) -0.005(4) 0.005(4) 0.011(4)
C111 0.048(5) 0.049(5) 0.047(4) -0.006(4) 0.004(4) 0.002(4)
C112 0.049(5) 0.044(5) 0.043(4) -0.007(4) 0.002(4) 0.006(4)
C113 0.048(5) 0.047(5) 0.040(4) 0.002(4) 0.001(4) 0.005(4)
C114 0.051(5) 0.047(5) 0.042(4) -0.004(4) 0.002(4) 0.005(4)
C115 0.048(5) 0.046(5) 0.045(4) 0.000(4) 0.003(4) -0.004(4)
C116 0.048(5) 0.045(5) 0.052(4) 0.006(4) -0.002(4) 0.015(4)
C117 0.064(5) 0.050(5) 0.048(4) 0.006(4) 0.013(4) 0.010(4)
C118 0.085(6) 0.060(6) 0.061(5) -0.002(5) 0.008(5) 0.014(4)
C201 0.045(5) 0.037(4) 0.047(4) -0.008(4) -0.007(4) 0.016(4)
C202 0.054(5) 0.054(5) 0.043(4) -0.018(4) -0.010(4) 0.022(4)
C203 0.052(5) 0.049(5) 0.046(4) -0.004(4) -0.001(4) 0.016(4)
C204 0.042(4) 0.057(5) 0.044(4) -0.007(4) -0.001(3) 0.013(4)
C205 0.055(5) 0.050(5) 0.047(4) -0.001(4) -0.003(4) 0.018(4)
C206 0.046(5) 0.052(5) 0.042(4) 0.000(4) -0.001(3) 0.008(4)
C207 0.046(5) 0.049(5) 0.047(4) 0.001(4) -0.002(4) 0.007(4)
C208 0.042(4) 0.042(5) 0.042(4) 0.001(3) 0.000(3) 0.007(3)
C209 0.044(4) 0.041(5) 0.043(4) 0.001(4) 0.003(3) 0.009(4)
C210 0.042(4) 0.054(5) 0.045(4) -0.006(4) 0.006(3) 0.000(4)
C211 0.044(4) 0.044(4) 0.044(4) 0.001(4) 0.003(4) 0.006(4)
C212 0.050(5) 0.038(4) 0.042(4) -0.001(4) 0.002(4) 0.006(3)
C213 0.049(5) 0.045(5) 0.043(4) 0.002(4) 0.006(4) 0.004(4)
C214 0.050(5) 0.045(5) 0.043(4) -0.001(4) 0.003(4) 0.001(4)
C215 0.052(5) 0.037(4) 0.043(4) 0.001(4) 0.002(4) 0.002(3)
C216 0.065(5) 0.042(5) 0.053(5) -0.003(4) 0.005(4) 0.005(4)
C217 0.081(6) 0.055(6) 0.070(5) -0.005(5) 0.004(5) 0.006(5)
C218 0.130(8) 0.080(7) 0.085(7) 0.022(6) 0.009(6) 0.040(6)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
Co1 0.86866(8) 0.19529(6) 0.73879(2) 0.0347(3) Uij
O1 1.0000 0.2695(3) 0.7500 0.032(2) Uij
O11 0.9540(3) 0.1079(3) 0.71513(9) 0.0450(10) Uij
O12 1.1178(3) 0.1395(2) 0.72079(8) 0.0390(10) Uij
O21 0.8475(3) 0.2569(3) 0.69888(9) 0.051(2) Uij
O22 0.9764(4) 0.3417(3) 0.69940(10) 0.090(2) Uij
N1 0.7404(4) 0.1201(3) 0.72780(10) 0.044(2) Uij
N2 0.7707(4) 0.2871(3) 0.76020(10) 0.047(2) Uij
C11 0.7043(5) 0.1141(4) 0.70020(10) 0.052(2) Uij
C12 0.6280(5) 0.0608(5) 0.6915(2) 0.064(3) Uij
C13 0.5881(6) 0.0103(5) 0.7115(2) 0.082(3) Uij
C14 0.6255(6) 0.0139(6) 0.7403(2) 0.089(4) Uij
C15 0.7007(6) 0.0707(5) 0.7475(2) 0.072(3) Uij
C21 0.7009(6) 0.3323(5) 0.7447(2) 0.073(3) Uij
C22 0.6435(7) 0.3931(6) 0.7572(2) 0.096(4) Uij
C23 0.6523(7) 0.4073(6) 0.7869(2) 0.087(4) Uij
C24 0.7184(6) 0.3618(5) 0.8032(2) 0.075(3) Uij
C25 0.7754(5) 0.3028(5) 0.78920(10) 0.054(2) Uij
C101 1.0439(5) 0.1029(4) 0.70780(10) 0.033(2) Uij
C102 1.0700(5) 0.0493(4) 0.68210(10) 0.039(2) Uij
C103 1.1444(5) 0.0895(4) 0.66080(10) 0.042(2) Uij
C104 1.1009(5) 0.1645(4) 0.64550(10) 0.041(2) Uij
C105 1.1712(5) 0.2067(4) 0.62340(10) 0.048(2) Uij
C106 1.1249(5) 0.2825(4) 0.60850(10) 0.047(2) Uij
C107 1.1912(5) 0.3199(4) 0.58470(10) 0.046(2) Uij
C108 1.1425(5) 0.3948(4) 0.56900(10) 0.047(2) Uij
C109 1.2056(5) 0.4328(4) 0.54440(10) 0.048(2) Uij
C110 1.1555(5) 0.5066(4) 0.52970(10) 0.046(2) Uij
C111 1.2187(5) 0.5446(4) 0.50510(10) 0.048(2) Uij
C112 1.1689(5) 0.6192(4) 0.48960(10) 0.045(2) Uij
C113 1.2296(5) 0.6575(4) 0.46510(10) 0.045(2) Uij
C114 1.1807(5) 0.7309(4) 0.45040(10) 0.047(2) Uij
C115 1.2409(5) 0.7714(4) 0.42580(10) 0.046(2) Uij
C116 1.1920(5) 0.8454(4) 0.41150(10) 0.049(2) Uij
C117 1.2537(5) 0.8866(4) 0.38810(10) 0.054(2) Uij
C118 1.2019(6) 0.9627(4) 0.3740(2) 0.069(3) Uij
C201 0.9001(5) 0.3114(4) 0.68730(10) 0.043(2) Uij
C202 0.8695(5) 0.3392(4) 0.65620(10) 0.050(2) Uij
C203 0.9062(5) 0.4244(4) 0.64770(10) 0.049(2) Uij
C204 0.8807(5) 0.4486(4) 0.61530(10) 0.048(2) Uij
C205 0.9135(5) 0.5349(4) 0.60680(10) 0.051(2) Uij
C206 0.8917(5) 0.5559(4) 0.57450(10) 0.047(2) Uij
C207 0.9239(5) 0.6434(4) 0.56570(10) 0.047(2) Uij
C208 0.9026(5) 0.6672(4) 0.53370(10) 0.042(2) Uij
C209 0.9350(5) 0.7535(4) 0.52600(10) 0.043(2) Uij
C210 0.9145(5) 0.7793(4) 0.49420(10) 0.047(2) Uij
C211 0.9475(5) 0.8673(4) 0.48660(10) 0.044(2) Uij
C212 0.9259(5) 0.8941(4) 0.45530(10) 0.043(2) Uij
C213 0.9599(5) 0.9814(4) 0.44850(10) 0.046(2) Uij
C214 0.9382(5) 1.0101(4) 0.41670(10) 0.046(2) Uij
C215 0.9740(5) 1.0965(4) 0.40920(10) 0.044(2) Uij
C216 0.9529(5) 1.1215(4) 0.37730(10) 0.053(2) Uij
C217 0.9903(6) 1.2065(5) 0.3687(2) 0.069(3) Uij
C218 0.9686(7) 1.2306(5) 0.3371(2) 0.098(4) Uij
H01 1.005(5) 0.305(3) 0.7330(10) 0.06(2) Uij
H11 0.7329 0.1488 0.6855 0.0620 Uij
H12 0.6041 0.0602 0.6714 0.0771 Uij
H13 0.5356 -0.0272 0.7060 0.0984 Uij
H14 0.6001 -0.0223 0.7551 0.1072 Uij
H15 0.7243 0.0740 0.7676 0.0869 Uij
H21 0.6914 0.3211 0.7241 0.0871 Uij
H22 0.5980 0.4250 0.7453 0.1153 Uij
H23 0.6125 0.4488 0.7960 0.1042 Uij
H24 0.7255 0.3705 0.8241 0.0903 Uij
H25 0.8212 0.2710 0.8011 0.0654 Uij
H102b 1.0993 -0.0004 0.6895 0.0471 Uij
H102a 1.0095 0.0367 0.6712 0.0471 Uij
H103b 1.1621 0.0501 0.6460 0.0499 Uij
H103a 1.2033 0.1054 0.6718 0.0499 Uij
H104b 1.0842 0.2038 0.6604 0.0488 Uij
H104a 1.0411 0.1482 0.6350 0.0488 Uij
H105b 1.2311 0.2232 0.6338 0.0573 Uij
H105a 1.1878 0.1677 0.6084 0.0573 Uij
H106b 1.1135 0.3233 0.6233 0.0562 Uij
H106a 1.0622 0.2670 0.5994 0.0562 Uij
H107b 1.2532 0.3370 0.5939 0.0552 Uij
H107a 1.2044 0.2786 0.5702 0.0552 Uij
H108b 1.1310 0.4364 0.5836 0.0560 Uij
H108a 1.0796 0.3777 0.5605 0.0560 Uij
H109b 1.2168 0.3917 0.5297 0.0572 Uij
H109a 1.2687 0.4499 0.5528 0.0572 Uij
H110b 1.1443 0.5477 0.5444 0.0547 Uij
H110a 1.0925 0.4894 0.5213 0.0547 Uij
H111b 1.2816 0.5620 0.5135 0.0574 Uij
H111a 1.2304 0.5032 0.4904 0.0574 Uij
H112b 1.1576 0.6604 0.5043 0.0544 Uij
H112a 1.1059 0.6016 0.4813 0.0544 Uij
H113b 1.2403 0.6165 0.4503 0.0539 Uij
H113a 1.2930 0.6746 0.4733 0.0539 Uij
H114b 1.1693 0.7714 0.4653 0.0561 Uij
H114a 1.1177 0.7134 0.4420 0.0561 Uij
H115b 1.3043 0.7883 0.4341 0.0556 Uij
H115a 1.2516 0.7312 0.4108 0.0556 Uij
H116b 1.1791 0.8849 0.4267 0.0585 Uij
H116a 1.1298 0.8282 0.4026 0.0585 Uij
H117b 1.3162 0.9036 0.3969 0.0647 Uij
H117a 1.2662 0.8474 0.3728 0.0647 Uij
H118a 1.2442 0.9854 0.3592 0.0825 Uij
H118b 1.1390 0.9467 0.3652 0.0825 Uij
H118c 1.1906 1.0031 0.3890 0.0825 Uij
H202b 0.7977 0.3389 0.6547 0.0602 Uij
H202a 0.8961 0.3005 0.6424 0.0602 Uij
H203b 0.8758 0.4636 0.6605 0.0587 Uij
H203a 0.9776 0.4260 0.6505 0.0587 Uij
H204b 0.8094 0.4448 0.6124 0.0570 Uij
H204a 0.9131 0.4104 0.6025 0.0570 Uij
H205b 0.8788 0.5735 0.6189 0.0609 Uij
H205a 0.9843 0.5396 0.6105 0.0609 Uij
H206b 0.8209 0.5508 0.5709 0.0560 Uij
H206a 0.9267 0.5175 0.5624 0.0560 Uij
H207b 0.8895 0.6815 0.5780 0.0571 Uij
H207a 0.9948 0.6480 0.5692 0.0571 Uij
H208b 0.9373 0.6297 0.5212 0.0506 Uij
H208a 0.8318 0.6628 0.5299 0.0506 Uij
H209b 0.9003 0.7908 0.5387 0.0514 Uij
H209a 1.0058 0.7577 0.5298 0.0514 Uij
H210b 0.9493 0.7422 0.4815 0.0561 Uij
H210a 0.8437 0.7751 0.4904 0.0561 Uij
H211b 1.0185 0.8711 0.4901 0.0531 Uij
H211a 0.9137 0.9043 0.4995 0.0531 Uij
H212b 0.9595 0.8572 0.4423 0.0518 Uij
H212a 0.8549 0.8908 0.4518 0.0518 Uij
H213b 1.0310 0.9844 0.4520 0.0548 Uij
H213a 0.9265 1.0180 0.4617 0.0548 Uij
H214b 0.9701 0.9725 0.4036 0.0549 Uij
H214a 0.8670 1.0083 0.4134 0.0549 Uij
H215b 1.0451 1.0990 0.4128 0.0528 Uij
H215a 0.9410 1.1346 0.4219 0.0528 Uij
H216b 0.9843 1.0821 0.3648 0.0638 Uij
H216a 0.8817 1.1202 0.3740 0.0638 Uij
H217b 1.0615 1.2079 0.3719 0.0826 Uij
H217a 0.9591 1.2460 0.3813 0.0826 Uij
H218a 0.9992 1.1918 0.3241 0.1178 Uij
H218b 0.9952 1.2843 0.3335 0.1178 Uij
H218c 0.8974 1.2310 0.3336 0.1178 Uij
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0.018 0.009
;
International Tables For Crystallography
(1992, Vol C. Tables 4.2.6.8 and 6.1.1.4)
;
H 0.000 0.000
;
International Tables For Crystallography
(1992, Vol C. Tables 4.2.6.8 and 6.1.1.4)
;
Co -2.365 3.614
;
International Tables For Crystallography
(1992, Vol C. Tables 4.2.6.8 and 6.1.1.4)
;
N 0.031 0.018
;
International Tables For Crystallography
(1992, Vol C. Tables 4.2.6.8 and 6.1.1.4)
;
O 0.049 0.032
;
International Tables For Crystallography
(1992, Vol C. Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
4 0 0
0 2 0
0 0 8
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 O11 ? ? 93.10(10) yes
O1 Co1 O12 ? 4_756 88.90(10) yes
O1 Co1 O21 ? ? 91.70(10) yes
O1 Co1 N1 ? ? 179.0(2) yes
O1 Co1 N2 ? ? 90.1(2) yes
O11 Co1 O12 ? 4_756 96.6(2) yes
O11 Co1 O21 ? ? 87.2(2) yes
O11 Co1 N1 ? ? 86.1(2) yes
O11 Co1 N2 ? ? 175.1(2) yes
O12 Co1 O21 4_756 ? 176.2(2) yes
O12 Co1 N1 4_756 ? 90.6(2) yes
O12 Co1 N2 4_756 ? 87.2(2) yes
O21 Co1 N1 ? ? 88.8(2) yes
O21 Co1 N2 ? ? 89.0(2) yes
N1 Co1 N2 ? ? 90.7(2) yes
Co1 O1 Co1 ? 4_756 112.7(2) yes
Co1 O11 C101 ? ? 134.5(4) no
Co1 O12 C101 ? ? 132.0(4) no
Co1 O21 C201 ? ? 129.5(4) no
Co1 N1 C11 ? ? 121.9(5) no
Co1 N1 C15 ? ? 121.2(5) no
C11 N1 C15 ? ? 116.5(6) no
Co1 N2 C21 ? ? 122.6(5) no
Co1 N2 C25 ? ? 122.6(5) no
C21 N2 C25 ? ? 114.8(6) no
N1 C11 C12 ? ? 124.2(6) no
C11 C12 C13 ? ? 119.2(7) no
C12 C13 C14 ? ? 118.0(7) no
C13 C14 C15 ? ? 119.3(8) no
N1 C15 C14 ? ? 122.8(7) no
N2 C21 C22 ? ? 123.5(8) no
C21 C22 C23 ? ? 119.2(9) no
C22 C23 C24 ? ? 119.0(8) no
C23 C24 C25 ? ? 119.0(8) no
N2 C25 C24 ? ? 124.4(7) no
O11 C101 O12 ? ? 125.3(6) no
O11 C101 C102 ? ? 118.7(6) no
O12 C101 C102 ? ? 116.0(6) no
C101 C102 C103 ? ? 113.5(5) no
C102 C103 C104 ? ? 112.4(5) no
C103 C104 C105 ? ? 114.9(6) no
C104 C105 C106 ? ? 113.6(6) no
C105 C106 C107 ? ? 113.4(6) no
C106 C107 C108 ? ? 113.1(5) no
C107 C108 C109 ? ? 114.7(5) no
C108 C109 C110 ? ? 113.2(6) no
C109 C110 C111 ? ? 113.2(6) no
C110 C111 C112 ? ? 114.0(6) no
C111 C112 C113 ? ? 115.1(6) no
C112 C113 C114 ? ? 114.6(6) no
C113 C114 C115 ? ? 115.7(6) no
C114 C115 C116 ? ? 115.3(6) no
C115 C116 C117 ? ? 114.7(6) no
C116 C117 C118 ? ? 113.6(6) no
O21 C201 O22 ? ? 123.8(6) no
O21 C201 C202 ? ? 116.9(6) no
O22 C201 C202 ? ? 119.3(6) no
C201 C202 C203 ? ? 114.8(6) no
C202 C203 C204 ? ? 113.8(6) no
C203 C204 C205 ? ? 114.4(6) no
C204 C205 C206 ? ? 113.5(6) no
C205 C206 C207 ? ? 114.0(6) no
C206 C207 C208 ? ? 115.7(6) no
C207 C208 C209 ? ? 113.9(5) no
C208 C209 C210 ? ? 115.2(6) no
C209 C210 C211 ? ? 114.9(5) no
C210 C211 C212 ? ? 115.4(6) no
C211 C212 C213 ? ? 114.1(5) no
C212 C213 C214 ? ? 115.0(6) no
C213 C214 C215 ? ? 115.8(6) no
C214 C215 C216 ? ? 114.0(6) no
C215 C216 C217 ? ? 115.5(6) no
C216 C217 C218 ? ? 114.9(7) no
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 ? 2.160(3) yes
Co1 O11 ? 2.105(4) yes
Co1 O12 4_756 2.030(4) yes
Co1 O21 ? 2.063(4) yes
Co1 N1 ? 2.135(5) yes
Co1 N2 ? 2.200(5) yes
O11 C101 ? 1.242(7) no
O12 C101 ? 1.274(6) no
O21 C201 ? 1.241(7) no
O22 C201 ? 1.237(7) no
N1 C11 ? 1.321(7) no
N1 C15 ? 1.307(8) no
N2 C21 ? 1.358(8) no
N2 C25 ? 1.325(7) no
C11 C12 ? 1.379(8) no
C12 C13 ? 1.327(9) no
C13 C14 ? 1.380(10) no
C14 C15 ? 1.386(9) no
C21 C22 ? 1.368(10) no
C22 C23 ? 1.350(10) no
C23 C24 ? 1.347(10) no
C24 C25 ? 1.374(9) no
C101 C102 ? 1.488(8) no
C102 C103 ? 1.528(7) no
C103 C104 ? 1.501(8) no
C104 C105 ? 1.532(8) no
C105 C106 ? 1.520(8) no
C106 C107 ? 1.515(8) no
C107 C108 ? 1.537(8) no
C108 C109 ? 1.525(8) no
C109 C110 ? 1.510(8) no
C110 C111 ? 1.525(8) no
C111 C112 ? 1.531(8) no
C112 C113 ? 1.506(8) no
C113 C114 ? 1.497(8) no
C114 C115 ? 1.519(8) no
C115 C116 ? 1.497(8) no
C116 C117 ? 1.497(8) no
C117 C118 ? 1.537(9) no
C201 C202 ? 1.517(7) no
C202 C203 ? 1.509(8) no
C203 C204 ? 1.538(8) no
C204 C205 ? 1.510(8) no
C205 C206 ? 1.512(8) no
C206 C207 ? 1.530(8) no
C207 C208 ? 1.508(8) no
C208 C209 ? 1.499(8) no
C209 C210 ? 1.509(8) no
C210 C211 ? 1.527(8) no
C211 C212 ? 1.491(7) no
C212 C213 ? 1.513(8) no
C213 C214 ? 1.522(8) no
C214 C215 ? 1.512(8) no
C215 C216 ? 1.506(8) no
C216 C217 ? 1.511(9) no
C217 C218 ? 1.493(9) no