#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/09/4500985.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4500985
loop_
_publ_author_name
'Guo, Jiao'
'Ma, Jian-Fang'
'Liu, Bo'
'Kan, Wei-Qiu'
'Yang, Jin'
_publ_section_title
;
 A Series of 2D and 3D Metal--Organic Frameworks Based on a Flexible
 Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates:
 Syntheses, Structures, and Photoluminescent Properties
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3609
_journal_paper_doi               10.1021/cg200581w
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C41 H35 Co2 N4 O16, 0.50(H2O), 0.50(H2O)'
_chemical_formula_sum            'C41 H37 Co2 N4 O17'
_chemical_formula_weight         975.56
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.926(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1977(8)
_cell_length_b                   9.3925(7)
_cell_length_c                   24.4616(17)
_cell_measurement_reflns_used    1477
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      3.0
_cell_volume                     2341.7(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_sigmaI/netI    0.2604
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8753
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             990
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.669
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.60(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.768
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         5935
_refine_ls_number_restraints     350
_refine_ls_restrained_S_all      0.850
_refine_ls_R_factor_all          0.1598
_refine_ls_R_factor_gt           0.0668
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0846P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1797
_reflns_number_gt                2128
_reflns_number_total             4144
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg200581w_si_002.cif
_cod_data_source_block           Compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:
'__diffrn_measurement_device_type' tag replaced with
'_diffrn_measurement_device_type'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-p 2yc'
_cod_original_sg_symbol_H-M      'p c'
_cod_original_formula_sum        'C41 H37 Co2 N4 O17 '
_cod_database_code               4500985
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.901(3) 0.091(3) 0.9076(11) 0.070(8) Uani 1 1 d U
H1 H 0.8485 0.1012 0.9376 0.085 Uiso 1 1 calc R
C2 C 0.976(2) -0.039(3) 0.9022(10) 0.053(7) Uani 1 1 d .
H2 H 0.9815 -0.1077 0.9297 0.063 Uiso 1 1 calc R
C3 C 1.038(2) -0.054(2) 0.8551(9) 0.035(6) Uani 1 1 d U
C4 C 1.0609(18) 0.0711(19) 0.8258(8) 0.048(3) Uani 1 1 d U
H4 H 1.1299 0.0766 0.8020 0.058 Uiso 1 1 calc R
C5 C 0.980(2) 0.184(2) 0.8330(9) 0.049(3) Uani 1 1 d U
H5 H 0.9810 0.2584 0.8078 0.059 Uiso 1 1 calc R
C6 C 1.126(2) -0.275(2) 0.8887(9) 0.040(6) Uani 1 1 d U
H6A H 1.0497 -0.3365 0.8867 0.048 Uiso 1 1 calc R
H6B H 1.1346 -0.2337 0.9250 0.048 Uiso 1 1 calc R
C7 C 1.263(2) -0.3617(10) 0.8716(10) 0.029(3) Uani 1 1 d U
C8 C 1.3571(19) -0.272(2) 0.8579(8) 0.032(5) Uani 1 1 d U
H8A H 1.3312 -0.2252 0.8240 0.038 Uiso 1 1 calc R
H8B H 1.4365 -0.3259 0.8517 0.038 Uiso 1 1 calc R
C9 C 1.451(3) -0.055(3) 0.8845(11) 0.062(8) Uani 1 1 d .
C10 C 1.463(2) 0.047(2) 0.9295(9) 0.067(7) Uani 1 1 d U
H10 H 1.4222 0.0349 0.9627 0.080 Uiso 1 1 calc R
C11 C 1.539(2) 0.164(3) 0.9184(10) 0.082(8) Uani 1 1 d U
H11 H 1.5353 0.2374 0.9437 0.099 Uiso 1 1 calc R
C12 C 1.615(2) 0.072(2) 0.8418(8) 0.041(6) Uani 1 1 d U
H12 H 1.6698 0.0762 0.8122 0.050 Uiso 1 1 calc R
C13 C 1.546(3) -0.043(3) 0.8448(11) 0.052(7) Uani 1 1 d U
H13 H 1.5587 -0.1179 0.8206 0.062 Uiso 1 1 calc R
C14 C 1.206(2) -0.446(2) 0.8249(8) 0.038(6) Uani 1 1 d U
H14A H 1.1322 -0.5032 0.8363 0.046 Uiso 1 1 calc R
H14B H 1.1768 -0.3847 0.7951 0.046 Uiso 1 1 calc R
C15 C 1.293(2) -0.631(3) 0.7669(9) 0.035(6) Uani 1 1 d U
C16 C 1.177(3) -0.649(3) 0.7420(10) 0.057(8) Uani 1 1 d U
H16 H 1.1021 -0.6000 0.7522 0.069 Uiso 1 1 calc R
C17 C 1.177(2) -0.761(3) 0.6931(8) 0.064(8) Uani 1 1 d .
H17 H 1.1020 -0.7652 0.6704 0.077 Uiso 1 1 calc R
C18 C 1.3731(19) -0.830(2) 0.7206(7) 0.054(4) Uani 1 1 d U
H18 H 1.4340 -0.9036 0.7210 0.064 Uiso 1 1 calc R
C19 C 1.397(2) -0.726(2) 0.7562(8) 0.054(4) Uani 1 1 d U
H19 H 1.4785 -0.7159 0.7736 0.064 Uiso 1 1 calc R
C20 C 1.293(2) -0.465(2) 0.9227(8) 0.039(6) Uani 1 1 d U
H20A H 1.3600 -0.5322 0.9129 0.046 Uiso 1 1 calc R
H20B H 1.3281 -0.4080 0.9529 0.046 Uiso 1 1 calc R
C21 C 1.205(2) -0.637(3) 0.9789(10) 0.038(6) Uani 1 1 d U
C22 C 1.100(2) -0.703(2) 0.9966(8) 0.044(5) Uani 1 1 d U
H22 H 1.0174 -0.6802 0.9817 0.053 Uiso 1 1 calc R
C23 C 1.1119(18) -0.8059(19) 1.0376(7) 0.051(5) Uani 1 1 d U
H23 H 1.0387 -0.8511 1.0512 0.061 Uiso 1 1 calc R
C24 C 1.3331(18) -0.754(2) 1.0423(7) 0.023(4) Uani 1 1 d U
H24 H 1.4160 -0.7723 1.0577 0.027 Uiso 1 1 calc R
C25 C 1.325(2) -0.654(2) 1.0104(7) 0.031(5) Uani 1 1 d .
H25 H 1.3939 -0.5906 1.0068 0.037 Uiso 1 1 calc R
C26 C 0.759(2) 0.506(3) 0.7980(9) 0.058(3) Uani 1 1 d U
C27 C 0.7330(16) 0.6526(16) 0.7645(5) 0.058(3) Uani 1 1 d GU
C28 C 0.6077(14) 0.6655(14) 0.7409(6) 0.047(4) Uani 1 1 d GU
H28 H 0.5441 0.5976 0.7479 0.057 Uiso 1 1 calc R
C29 C 0.5773(11) 0.7800(16) 0.7067(6) 0.046(4) Uani 1 1 d GU
C30 C 0.6723(14) 0.8816(13) 0.6962(6) 0.038(5) Uani 1 1 d G
H30 H 0.6520 0.9582 0.6733 0.046 Uiso 1 1 calc R
C31 C 0.7977(13) 0.8687(16) 0.7197(7) 0.072(9) Uani 1 1 d GU
C32 C 0.8281(12) 0.7542(19) 0.7539(6) 0.083(9) Uani 1 1 d G
H32 H 0.9119 0.7455 0.7697 0.099 Uiso 1 1 calc R
C33 C 0.433(2) 0.823(3) 0.6871(11) 0.074(7) Uani 1 1 d U
C34 C 0.060(2) 1.200(2) 0.5571(9) 0.049(2) Uani 1 1 d U
C35 C -0.0709(12) 1.2136(18) 0.5352(6) 0.048(2) Uani 1 1 d GU
C36 C -0.1624(16) 1.1081(14) 0.5456(7) 0.080(9) Uani 1 1 d GU
H36 H -0.1369 1.0269 0.5649 0.095 Uiso 1 1 calc R
C37 C -0.2920(14) 1.1241(14) 0.5272(7) 0.055(7) Uani 1 1 d GU
C38 C -0.3301(11) 1.2456(17) 0.4983(6) 0.054(6) Uani 1 1 d GU
H38 H -0.4168 1.2563 0.4860 0.065 Uiso 1 1 calc R
C39 C -0.2386(15) 1.3511(14) 0.4879(5) 0.047(2) Uani 1 1 d GU
C40 C -0.1091(13) 1.3351(15) 0.5064(6) 0.048(2) Uani 1 1 d GU
H40 H -0.0479 1.4057 0.4994 0.058 Uiso 1 1 calc R
C41 C -0.2777(18) 1.4643(17) 0.4517(7) 0.037(5) Uani 1 1 d U
N1 N 0.9053(17) 0.1929(19) 0.8719(7) 0.049(3) Uani 1 1 d U
N2 N 1.6188(13) 0.1869(16) 0.8757(6) 0.034(4) Uani 1 1 d U
N3 N 1.2695(19) -0.843(2) 0.6829(8) 0.053(4) Uani 1 1 d U
N4 N 1.2385(18) -0.838(2) 1.0571(7) 0.044(4) Uani 1 1 d U
O1 O 1.1195(15) -0.1626(17) 0.8453(6) 0.050(4) Uani 1 1 d U
O2 O 1.3830(17) -0.1718(17) 0.8971(6) 0.064(5) Uani 1 1 d .
O1W O 0.1146(17) 0.869(2) 0.6713(7) 0.078(6) Uani 1 1 d .
O3 O 1.3152(14) -0.5365(18) 0.8090(6) 0.048(5) Uani 1 1 d .
O2W O 0.3601(15) 1.1363(18) 0.5734(6) 0.056(5) Uani 1 1 d .
O4 O 1.1857(15) -0.5397(18) 0.9405(6) 0.045(5) Uani 1 1 d U
O3W O 0.782(3) 1.240(4) 0.6949(13) 0.071(10) Uani 0.50 1 d PU
O5' O 0.693(2) 0.420(2) 0.7978(8) 0.058(3) Uiso 0.80 1 d PU
O5 O 0.639(5) 0.504(6) 0.833(2) 0.058(3) Uani 0.20 1 d PU
O4W O -0.273(3) 0.763(2) 0.5361(11) 0.059(8) Uani 0.50 1 d P
O6 O 0.8655(12) 0.5319(13) 0.8315(5) 0.059(3) Uiso 1 1 d U
O7 O 0.8896(18) 0.974(2) 0.7112(11) 0.128(10) Uani 1 1 d .
H7 H 0.8569 1.0359 0.6916 0.192 Uiso 1 1 calc R
O8 O 0.4174(15) 0.9072(18) 0.6533(6) 0.043(3) Uani 1 1 d U
O9 O 0.3579(14) 0.6991(16) 0.6948(6) 0.105(5) Uiso 1 1 d .
O10 O 0.0855(15) 1.0982(19) 0.5914(7) 0.049(2) Uani 1 1 d U
O11 O 0.1563(9) 1.2435(11) 0.5284(4) 0.050(2) Uiso 1 1 d U
O12 O -0.3847(19) 1.025(2) 0.5364(8) 0.088(7) Uani 1 1 d .
O13 O -0.363(7) 1.564(9) 0.462(3) 0.11(2) Uani 0.20 1 d PU
O13' O -0.395(2) 1.477(2) 0.4322(9) 0.103(7) Uani 0.80 1 d PU
O14 O -0.219(2) 1.595(3) 0.4520(10) 0.039(7) Uani 0.50 1 d PU
O14' O -0.186(2) 1.543(2) 0.4361(9) 0.035(6) Uani 0.50 1 d PU
Co1 Co 0.7486(5) 0.34259(14) 0.8732(2) 0.0425(5) Uani 1 1 d .
Co2 Co 0.2507(5) 0.9987(5) 0.6225(2) 0.0400(4) Uani 1 1 d .
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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 122(2) . .
C3 C2 C1 116(2) . .
C2 C3 O1 123(2) . .
C2 C3 C4 116(2) . .
O1 C3 C4 115.3(19) . .
C5 C4 C3 118.4(19) . .
N1 C5 C4 123(2) . .
O1 C6 C7 100.6(14) . .
C8 C7 C14 114(2) . .
C8 C7 C20 117(2) . .
C14 C7 C20 109.6(9) . .
C8 C7 C6 111.7(9) . .
C14 C7 C6 98.1(17) . .
C20 C7 C6 103.7(16) . .
C7 C8 O2 112.6(17) . .
O2 C9 C13 127(2) . .
O2 C9 C10 113(2) . .
C13 C9 C10 116(2) . .
C11 C10 C9 114(2) . .
N2 C11 C10 129(2) . .
C13 C12 N2 129(2) . .
C12 C13 C9 120(3) . .
O3 C14 C7 103.2(16) . .
C16 C15 O3 123(2) . .
C16 C15 C19 120(2) . .
O3 C15 C19 116(2) . .
C15 C16 C17 114(2) . .
N3 C17 C16 125(2) . .
C19 C18 N3 128(2) . .
C18 C19 C15 118(2) . .
O4 C20 C7 114.9(17) . .
O4 C21 C22 117(2) . .
O4 C21 C25 124(2) . .
C22 C21 C25 117(2) . .
C21 C22 C23 120(2) . .
C22 C23 N4 117.0(19) . .
C25 C24 N4 127(2) . .
C24 C25 C21 118(2) . .
O5' C26 O6 130(2) . .
O5' C26 O5 58(3) . .
O6 C26 O5 108(2) . .
O5' C26 C27 124(2) . .
O6 C26 C27 105.5(18) . .
O5 C26 C27 100(2) . .
O5' C26 Co1 57.8(15) . .
O6 C26 Co1 73.0(11) . .
O5 C26 Co1 60(2) . .
C27 C26 Co1 157.1(15) . .
C28 C27 C32 120.0 . .
C28 C27 C26 114.6(15) . .
C32 C27 C26 125.0(15) . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 C33 124.3(14) . .
C30 C29 C33 114.6(14) . .
C29 C30 C31 120.0 . .
O7 C31 C32 120.3(14) . .
O7 C31 C30 119.6(14) . .
C32 C31 C30 120.0 . .
C31 C32 C27 120.0 . .
O8 C33 O9 127(2) . .
O8 C33 C29 120(2) . .
O9 C33 C29 104.6(18) . .
O11 C34 O10 116.6(19) . .
O11 C34 C35 119.2(18) . .
O10 C34 C35 118.0(19) . .
C36 C35 C40 120.0 . .
C36 C35 C34 119.7(14) . .
C40 C35 C34 120.2(14) . .
C35 C36 C37 120.0 . .
O12 C37 C36 122.2(14) . .
O12 C37 C38 117.8(14) . .
C36 C37 C38 120.0 . .
C39 C38 C37 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 C41 117.9(13) . .
C40 C39 C41 121.5(13) . .
C39 C40 C35 120.0 . .
O14' C41 O13' 121.7(19) . .
O14' C41 O13 98(4) . .
O13' C41 O13 52(3) . .
O14' C41 O14 31.3(12) . .
O13' C41 O14 108.7(19) . .
O13 C41 O14 70(3) . .
O14' C41 C39 115.3(18) . .
O13' C41 C39 122.7(16) . .
O13 C41 C39 126(4) . .
O14 C41 C39 123.5(18) . .
C5 N1 C1 120(2) . .
C5 N1 Co1 122.3(15) . .
C1 N1 Co1 115.9(16) . .
C12 N2 C11 109.4(19) . .
C12 N2 Co1 125.2(13) . 1_655
C11 N2 Co1 124.1(15) . 1_655
C17 N3 C18 112(2) . .
C17 N3 Co2 121.7(17) . 1_635
C18 N3 Co2 125.4(15) . 1_635
C24 N4 C23 117.2(18) . .
C24 N4 Co2 126.3(15) . 2_655
C23 N4 Co2 115.3(13) . 2_655
C3 O1 C6 114.9(16) . .
C9 O2 C8 119.6(17) . .
C15 O3 C14 117.7(17) . .
C21 O4 C20 118.3(18) . .
C26 O5' O5 79(3) . .
C26 O5' Co1 96.4(18) . .
O5 O5' Co1 74(2) . .
O5' O5 C26 43(2) . .
O5' O5 Co1 69(2) . .
C26 O5 Co1 81(2) . .
C26 O6 Co1 74.0(11) . .
C33 O8 Co2 130.5(17) . .
C34 O10 Co2 136.1(15) . .
O13' O13 C41 63(4) . .
O13' O13 O14 107(6) . .
C41 O13 O14 57(3) . .
O13 O13' C41 66(4) . .
O14' O14 C41 66(3) . .
O14' O14 O13 115(5) . .
C41 O14 O13 53(3) . .
O14' O14 Co1 75(3) . 2_474
C41 O14 Co1 101.3(16) . 2_474
O13 O14 Co1 94(3) . 2_474
O14 O14' C41 83(3) . .
O14 O14' Co1 84(3) . 2_474
C41 O14' Co1 108.6(16) . 2_474
N2 Co1 O14' 126.1(9) 1_455 2_675
N2 Co1 O14 105.8(9) 1_455 2_675
O14' Co1 O14 20.6(7) 2_675 2_675
N2 Co1 O5' 97.2(8) 1_455 .
O14' Co1 O5' 125.9(9) 2_675 .
O14 Co1 O5' 141.9(6) 2_675 .
N2 Co1 O5 101.7(15) 1_455 .
O14' Co1 O5 97.5(18) 2_675 .
O14 Co1 O5 107.6(18) 2_675 .
O5' Co1 O5 36.7(17) . .
N2 Co1 N1 90.9(4) 1_455 .
O14' Co1 N1 97.8(8) 2_675 .
O14 Co1 N1 96.0(9) 2_675 .
O5' Co1 N1 113.9(8) . .
O5 Co1 N1 148.7(16) . .
N2 Co1 O6 155.3(6) 1_455 .
O14' Co1 O6 76.5(8) 2_675 .
O14 Co1 O6 97.1(8) 2_675 .
O5' Co1 O6 58.5(6) . .
O5 Co1 O6 61.8(14) . .
N1 Co1 O6 95.7(6) . .
N2 Co1 C26 123.0(8) 1_455 .
O14' Co1 C26 103.1(9) 2_675 .
O14 Co1 C26 122.2(10) 2_675 .
O5' Co1 C26 25.8(7) . .
O5 Co1 C26 38.6(15) . .
N1 Co1 C26 111.0(8) . .
O6 Co1 C26 33.0(6) . .
O8 Co2 O10 177.9(9) . .
O8 Co2 N3 89.1(8) . 1_475
O10 Co2 N3 89.6(7) . 1_475
O8 Co2 O2W 91.0(7) . .
O10 Co2 O2W 87.3(7) . .
N3 Co2 O2W 85.9(7) 1_475 .
O8 Co2 N4 90.3(7) . 2_454
O10 Co2 N4 90.9(7) . 2_454
N3 Co2 N4 177.1(10) 1_475 2_454
O2W Co2 N4 91.3(7) . 2_454
O8 Co2 O1W 95.7(7) . .
O10 Co2 O1W 85.9(7) . .
N3 Co2 O1W 93.2(8) 1_475 .
O2W Co2 O1W 173.2(9) . .
N4 Co2 O1W 89.6(8) 2_454 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.30(3) .
C1 C2 1.45(3) .
C2 C3 1.34(3) .
C3 O1 1.34(3) .
C3 C4 1.40(3) .
C4 C5 1.36(2) .
C5 N1 1.24(2) .
C6 O1 1.50(2) .
C6 C7 1.68(3) .
C7 C8 1.33(2) .
C7 C14 1.49(3) .
C7 C20 1.60(3) .
C8 O2 1.36(2) .
C9 O2 1.34(3) .
C9 C13 1.39(3) .
C9 C10 1.47(3) .
C10 C11 1.37(3) .
C11 N2 1.37(3) .
C12 C13 1.29(3) .
C12 N2 1.36(2) .
C14 O3 1.47(2) .
C15 C16 1.32(3) .
C15 O3 1.38(3) .
C15 C19 1.41(3) .
C16 C17 1.59(3) .
C17 N3 1.25(3) .
C18 C19 1.32(3) .
C18 N3 1.38(3) .
C20 O4 1.38(2) .
C21 O4 1.32(3) .
C21 C22 1.32(3) .
C21 C25 1.43(3) .
C22 C23 1.39(3) .
C23 N4 1.39(2) .
C24 C25 1.22(3) .
C24 N4 1.31(2) .
C26 O5' 1.05(3) .
C26 O6 1.36(2) .
C26 O5 1.51(6) .
C26 C27 1.62(2) .
C26 Co1 2.40(2) .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C29 C33 1.59(3) .
C30 C31 1.3900 .
C31 O7 1.38(2) .
C31 C32 1.3900 .
C33 O8 1.15(3) .
C33 O9 1.41(3) .
C34 O11 1.29(2) .
C34 O10 1.30(3) .
C34 C35 1.43(2) .
C35 C36 1.3900 .
C35 C40 1.3900 .
C36 C37 1.3900 .
C37 O12 1.35(2) .
C37 C38 1.3900 .
C38 C39 1.3900 .
C39 C40 1.3900 .
C39 C41 1.43(2) .
C41 O14' 1.26(3) .
C41 O13' 1.28(3) .
C41 O13 1.31(8) .
C41 O14 1.37(3) .
N1 Co1 2.129(17) .
N2 Co1 1.975(15) 1_655
N3 Co2 2.10(2) 1_635
N4 Co2 2.200(19) 2_655
O1W Co2 2.225(18) .
O2W Co2 2.110(16) .
O5' O5 1.31(6) .
O5' Co1 2.04(2) .
O5 Co1 2.11(5) .
O6 Co1 2.388(13) .
O8 Co2 2.027(17) .
O10 Co2 2.050(18) .
O13 O13' 1.13(8) .
O13 O14 1.53(7) .
O14 O14' 0.72(3) .
O14 Co1 2.03(2) 2_474
O14' Co1 1.98(2) 2_474
Co1 N2 1.975(15) 1_455
Co1 O14' 1.98(2) 2_675
Co1 O14 2.03(2) 2_675
Co2 N3 2.10(2) 1_475
Co2 N4 2.200(19) 2_454
