#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/66/2216694.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_2216694
loop_
_publ_author_name
'Zhao-Peng Deng'
'Shan Gao'
'Li-Hua Huo'
'Hui Zhao'
_publ_section_title
;Di-μ-aqua-bis[aqua(2,2'-bipyridine-κ²N,N')(4-formylbenzoato-κO)cobalt(II)]
 bis(4-formylbenzoate)
;
_journal_coeditor_code           NG2376
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3124
_journal_page_last               m3125
_journal_paper_doi               10.1107/S160053680705979X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Co2 (C8 H5 O3)2 (C10 H8 N2)2 (H2 O)4](2C8 H5 O3)2'
_chemical_formula_moiety         'C36 H34 Co2 N4 O10, 2(C8 H5 O3)'
_chemical_formula_sum            'C52 H44 Co2 N4 O16'
_chemical_formula_weight         1098.77
_chemical_name_systematic
;
Di-μ-aqua-κ²O:O-di-4-formylbenzoato-\kO-bis[aqua(2,2'-bipyridine-
κ²N,N')cobalt(II)] bis(4-formylbenzoate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.77(3)
_cell_angle_beta                 101.17(3)
_cell_angle_gamma                104.11(3)
_cell_formula_units_Z            1
_cell_length_a                   7.3813(15)
_cell_length_b                   10.654(2)
_cell_length_c                   16.385(3)
_cell_measurement_reflns_used    10238
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.06
_cell_volume                     1198.7(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_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  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11854
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.8487
_exptl_absorpt_correction_T_min  0.7795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             566
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.285
_refine_diff_density_min         -1.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5451
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0987P)²+0.4736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1331
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                4776
_reflns_number_total             5451
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2376.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               2216694
_cod_database_fobs_code          2216694
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.56663(4) 0.36254(3) 0.475623(17) 0.02743(13) Uani d . 1 . .
O O1W 0.6901(2) 0.57079(16) 0.52683(10) 0.0283(3) Uani d D 1 . .
H H1W1 0.742(4) 0.597(3) 0.4882(11) 0.043 Uiso d D 1 . .
H H1W2 0.768(3) 0.600(3) 0.5753(8) 0.043 Uiso d D 1 . .
O O2W 0.8315(3) 0.3225(2) 0.48421(12) 0.0443(4) Uani d D 1 . .
H H2W1 0.935(3) 0.367(3) 0.5202(16) 0.066 Uiso d D 1 . .
H H2W2 0.857(4) 0.290(3) 0.4386(12) 0.066 Uiso d D 1 . .
O O1 0.5747(3) 0.40142(18) 0.35747(10) 0.0364(4) Uani d . 1 . .
O O2 0.8156(3) 0.58935(18) 0.38767(11) 0.0394(4) Uani d . 1 . .
O O3 0.7988(10) 0.4816(6) -0.0513(3) 0.0890(14) Uani d PD 0.50 A 1
O O3' 0.5967(10) 0.3087(6) -0.0686(3) 0.0890(14) Uani d PD 0.50 A 2
O O4 0.8548(3) 0.1796(2) 0.33943(13) 0.0534(5) Uani d . 1 . .
O O5 1.0836(3) 0.3501(2) 0.32778(12) 0.0545(6) Uani d . 1 . .
O O6 0.8590(13) 0.1155(9) -0.1128(4) 0.1135(19) Uani d PD 0.50 B 1
O O6' 0.7076(13) -0.0190(8) -0.1110(4) 0.1135(19) Uani d PD 0.50 B 2
N N1 0.3885(3) 0.1664(2) 0.43106(13) 0.0327(4) Uani d . 1 . .
N N2 0.5494(3) 0.29679(19) 0.58964(12) 0.0303(4) Uani d . 1 . .
C C1 0.6972(3) 0.4893(2) 0.33741(14) 0.0320(5) Uani d . 1 . .
C C2 0.6931(3) 0.4728(2) 0.24375(14) 0.0329(5) Uani d . 1 . .
C C3 0.5606(4) 0.3659(3) 0.18631(17) 0.0467(7) Uani d . 1 . .
H H3 0.4728 0.3056 0.2052 0.056 Uiso calc R 1 . .
C C4 0.5587(5) 0.3488(3) 0.10092(17) 0.0546(8) Uani d . 1 . .
H H4 0.4696 0.2766 0.0626 0.066 Uiso calc R 1 . .
C C5 0.6881(5) 0.4382(3) 0.07181(16) 0.0460(6) Uani d . 1 A .
C C6 0.8183(5) 0.5456(3) 0.12839(18) 0.0536(8) Uani d . 1 . .
H H6 0.9043 0.6068 0.1092 0.064 Uiso calc R 1 . .
C C7 0.8209(4) 0.5624(3) 0.21457(17) 0.0465(6) Uani d . 1 . .
H H7 0.9096 0.6348 0.2529 0.056 Uiso calc R 1 . .
C C8 0.6896(6) 0.4134(4) -0.01888(18) 0.0621(9) Uani d D 1 . .
H H8 0.5987 0.3388 -0.0542 0.074 Uiso calc PR 0.50 A 1
H H8' 0.5958 0.3398 -0.0537 0.074 Uiso d PR 0.50 A 2
C C9 0.3118(4) 0.1067(3) 0.34934(16) 0.0423(6) Uani d . 1 . .
H H9 0.3480 0.1500 0.3074 0.051 Uiso calc R 1 . .
C C10 0.1795(5) -0.0182(3) 0.32517(19) 0.0499(7) Uani d . 1 . .
H H10 0.1285 -0.0580 0.2679 0.060 Uiso calc R 1 . .
C C11 0.1256(4) -0.0818(3) 0.3872(2) 0.0505(7) Uani d . 1 . .
H H11 0.0363 -0.1649 0.3724 0.061 Uiso calc R 1 . .
C C12 0.2049(4) -0.0216(3) 0.47170(18) 0.0408(6) Uani d . 1 . .
H H12 0.1710 -0.0637 0.5145 0.049 Uiso calc R 1 . .
C C13 0.3362(3) 0.1033(2) 0.49165(15) 0.0308(5) Uani d . 1 . .
C C14 0.4292(3) 0.1755(2) 0.58092(14) 0.0303(4) Uani d . 1 . .
C C15 0.3981(4) 0.1224(3) 0.65135(18) 0.0446(6) Uani d . 1 . .
H H15 0.3129 0.0392 0.6446 0.054 Uiso calc R 1 . .
C C16 0.4968(5) 0.1964(3) 0.73143(18) 0.0541(8) Uani d . 1 . .
H H16 0.4782 0.1631 0.7794 0.065 Uiso calc R 1 . .
C C17 0.6216(5) 0.3183(3) 0.74036(17) 0.0476(7) Uani d . 1 . .
H H17 0.6900 0.3683 0.7940 0.057 Uiso calc R 1 . .
C C18 0.6440(4) 0.3656(3) 0.66786(15) 0.0376(5) Uani d . 1 . .
H H18 0.7285 0.4488 0.6738 0.045 Uiso calc R 1 . .
C C19 0.9535(4) 0.2432(2) 0.29810(16) 0.0360(5) Uani d . 1 . .
C C20 0.9171(4) 0.1921(3) 0.20316(16) 0.0377(5) Uani d . 1 . .
C C21 0.7775(5) 0.0744(3) 0.1627(2) 0.0604(9) Uani d . 1 . .
H H21 0.7066 0.0252 0.1940 0.072 Uiso calc R 1 . .
C C22 0.7436(6) 0.0300(4) 0.0754(2) 0.0698(10) Uani d . 1 . .
H H22 0.6509 -0.0495 0.0488 0.084 Uiso calc R 1 . .
C C23 0.8439(5) 0.1012(4) 0.02857(19) 0.0582(8) Uani d . 1 B .
C C24 0.9863(6) 0.2189(4) 0.0682(2) 0.0607(8) Uani d . 1 . .
H H24 1.0568 0.2672 0.0363 0.073 Uiso calc R 1 . .
C C25 1.0221(5) 0.2634(3) 0.15529(18) 0.0508(7) Uani d . 1 . .
H H25 1.1174 0.3417 0.1819 0.061 Uiso calc R 1 . .
C C26 0.8069(8) 0.0632(5) -0.0654(2) 0.0907(16) Uani d D 1 . .
H H26 0.7237 -0.0211 -0.0886 0.109 Uiso calc PR 0.50 B 1
H H26' 0.7222 -0.0202 -0.0898 0.109 Uiso d PR 0.50 B 2
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Co1 O2W . . 89.03(8) no
O1 Co1 N2 . . 172.67(7) no
O2W Co1 N2 . . 89.14(8) no
O1 Co1 N1 . . 95.60(8) no
O2W Co1 N1 . . 98.01(9) no
N2 Co1 N1 . . 77.64(8) no
O1 Co1 O1W . . 87.94(7) no
O2W Co1 O1W . . 94.42(8) no
N2 Co1 O1W . . 99.28(7) no
N1 Co1 O1W . . 167.12(7) no
O1 Co1 O1W . 2_666 90.74(7) no
O2W Co1 O1W . 2_666 173.06(7) no
N2 Co1 O1W . 2_666 91.94(7) no
N1 Co1 O1W . 2_666 88.92(8) no
O1W Co1 O1W . 2_666 78.64(7) no
Co1 O1W Co1 . 2_666 101.36(7) no
Co1 O1W H1W1 . . 102(2) no
Co1 O1W H1W1 2_666 . 109(2) no
Co1 O1W H1W2 . . 122(2) no
Co1 O1W H1W2 2_666 . 110(2) no
H1W1 O1W H1W2 . . 110.9(16) no
Co1 O2W H2W1 . . 125(2) no
Co1 O2W H2W2 . . 118(2) no
H2W1 O2W H2W2 . . 109.8(17) no
C1 O1 Co1 . . 128.49(16) no
C26 O6' H26' . . 57.9 no
C9 N1 C13 . . 118.8(2) no
C9 N1 Co1 . . 125.57(18) no
C13 N1 Co1 . . 115.33(15) no
C18 N2 C14 . . 118.7(2) no
C18 N2 Co1 . . 125.63(17) no
C14 N2 Co1 . . 115.67(15) no
O2 C1 O1 . . 125.9(2) no
O2 C1 C2 . . 118.2(2) no
O1 C1 C2 . . 115.9(2) no
C7 C2 C3 . . 119.3(2) no
C7 C2 C1 . . 121.0(2) no
C3 C2 C1 . . 119.7(2) no
C4 C3 C2 . . 120.0(3) no
C4 C3 H3 . . 120.0 no
C2 C3 H3 . . 120.0 no
C3 C4 C5 . . 120.6(3) no
C3 C4 H4 . . 119.7 no
C5 C4 H4 . . 119.7 no
C6 C5 C4 . . 119.7(2) no
C6 C5 C8 . . 120.9(3) no
C4 C5 C8 . . 119.4(3) no
C5 C6 C7 . . 119.7(3) no
C5 C6 H6 . . 120.2 no
C7 C6 H6 . . 120.2 no
C2 C7 C6 . . 120.7(3) no
C2 C7 H7 . . 119.7 no
C6 C7 H7 . . 119.7 no
O3 C8 O3' . . 111.1(4) no
O3 C8 C5 . . 125.5(4) no
O3' C8 C5 . . 122.6(4) no
O3 C8 H8 . . 117.2 no
C5 C8 H8 . . 117.2 no
O3 C8 H8' . . 118.1 no
C5 C8 H8' . . 116.3 no
N1 C9 C10 . . 122.1(3) no
N1 C9 H9 . . 119.0 no
C10 C9 H9 . . 119.0 no
C11 C10 C9 . . 118.9(3) no
C11 C10 H10 . . 120.5 no
C9 C10 H10 . . 120.5 no
C10 C11 C12 . . 119.5(3) no
C10 C11 H11 . . 120.2 no
C12 C11 H11 . . 120.2 no
C11 C12 C13 . . 118.7(3) no
C11 C12 H12 . . 120.6 no
C13 C12 H12 . . 120.6 no
N1 C13 C12 . . 121.9(2) no
N1 C13 C14 . . 115.6(2) no
C12 C13 C14 . . 122.4(2) no
N2 C14 C15 . . 121.6(2) no
N2 C14 C13 . . 115.2(2) no
C15 C14 C13 . . 123.2(2) no
C16 C15 C14 . . 118.4(2) no
C16 C15 H15 . . 120.8 no
C14 C15 H15 . . 120.8 no
C17 C16 C15 . . 120.2(3) no
C17 C16 H16 . . 119.9 no
C15 C16 H16 . . 119.9 no
C16 C17 C18 . . 118.5(3) no
C16 C17 H17 . . 120.8 no
C18 C17 H17 . . 120.8 no
N2 C18 C17 . . 122.7(2) no
N2 C18 H18 . . 118.6 no
C17 C18 H18 . . 118.6 no
O4 C19 O5 . . 125.6(2) no
O4 C19 C20 . . 119.3(2) no
O5 C19 C20 . . 115.1(2) no
C25 C20 C21 . . 119.0(3) no
C25 C20 C19 . . 120.3(2) no
C21 C20 C19 . . 120.7(3) no
C20 C21 C22 . . 120.1(3) no
C20 C21 H21 . . 120.0 no
C22 C21 H21 . . 120.0 no
C23 C22 C21 . . 120.8(3) no
C23 C22 H22 . . 119.6 no
C21 C22 H22 . . 119.6 no
C22 C23 C24 . . 120.0(3) no
C22 C23 C26 . . 123.4(4) no
C24 C23 C26 . . 116.5(4) no
C25 C24 C23 . . 119.6(3) no
C25 C24 H24 . . 120.2 no
C23 C24 H24 . . 120.2 no
C24 C25 C20 . . 120.5(3) no
C24 C25 H25 . . 119.7 no
C20 C25 H25 . . 119.7 no
O6' C26 O6 . . 95.1(6) no
O6' C26 C23 . . 132.2(7) no
O6 C26 C23 . . 132.3(6) no
O6 C26 H26 . . 113.8 no
C23 C26 H26 . . 113.8 no
O6 C26 H26' . . 112.7 no
C23 C26 H26' . . 115.0 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 . 2.0494(17) yes
Co1 O2W . 2.0841(18) yes
Co1 N2 . 2.108(2) yes
Co1 N1 . 2.110(2) yes
Co1 O1W . 2.1464(18) yes
Co1 O1W 2_666 2.1756(17) yes
O1W Co1 2_666 2.1756(17) no
O1W H1W1 . 0.85(3) no
O1W H1W2 . 0.85(3) no
O2W H2W1 . 0.85(3) no
O2W H2W2 . 0.85(2) no
O1 C1 . 1.264(3) no
O2 C1 . 1.256(3) no
O3 C8 . 1.208(6) no
O3' C8 . 1.229(6) no
O3' H8' . 0.3824 no
O4 C19 . 1.240(3) no
O5 C19 . 1.255(3) no
O6 C26 . 1.096(7) no
O6' C26 . 1.067(7) no
O6' H26' . 0.3457 no
N1 C9 . 1.338(3) no
N1 C13 . 1.346(3) no
N2 C18 . 1.336(3) no
N2 C14 . 1.347(3) no
C1 C2 . 1.511(3) no
C2 C7 . 1.380(4) no
C2 C3 . 1.383(4) no
C3 C4 . 1.380(4) no
C3 H3 . 0.9300 no
C4 C5 . 1.385(5) no
C4 H4 . 0.9300 no
C5 C6 . 1.374(4) no
C5 C8 . 1.472(4) no
C6 C7 . 1.392(4) no
C6 H6 . 0.9300 no
C7 H7 . 0.9300 no
C8 H8 . 0.9300 no
C8 H8' . 0.9301 no
C9 C10 . 1.391(4) no
C9 H9 . 0.9300 no
C10 C11 . 1.373(5) no
C10 H10 . 0.9300 no
C11 C12 . 1.380(4) no
C11 H11 . 0.9300 no
C12 C13 . 1.390(3) no
C12 H12 . 0.9300 no
C13 C14 . 1.487(3) no
C14 C15 . 1.394(3) no
C15 C16 . 1.382(4) no
C15 H15 . 0.9300 no
C16 C17 . 1.365(4) no
C16 H16 . 0.9300 no
C17 C18 . 1.382(4) no
C17 H17 . 0.9300 no
C18 H18 . 0.9300 no
C19 C20 . 1.516(3) no
C20 C25 . 1.387(4) no
C20 C21 . 1.388(4) no
C21 C22 . 1.388(4) no
C21 H21 . 0.9300 no
C22 C23 . 1.355(6) no
C22 H22 . 0.9300 no
C23 C24 . 1.394(5) no
C23 C26 . 1.485(5) no
C24 C25 . 1.385(4) no
C24 H24 . 0.9300 no
C25 H25 . 0.9300 no
C26 H26 . 0.9300 no
C26 H26' . 0.9300 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1W H1W1 O2 . 0.85(3) 1.83(3) 2.639(2) 159(3) yes
O1W H1W2 O5 2_766 0.85(3) 1.67(3) 2.517(3) 177(3) yes
O2W H2W1 O2 2_766 0.85(3) 2.04(4) 2.857(3) 160(4) yes
O2W H2W2 O4 . 0.85(2) 1.85(3) 2.676(3) 164(3) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 Co1 O1W Co1 . 2_666 91.17(8) no
O2W Co1 O1W Co1 . 2_666 -179.97(7) no
N2 Co1 O1W Co1 . 2_666 -90.12(8) no
N1 Co1 O1W Co1 . 2_666 -15.1(3) no
O1W Co1 O1W Co1 2_666 2_666 0.0 no
O2W Co1 O1 C1 . . -60.9(2) no
N1 Co1 O1 C1 . . -158.9(2) no
O1W Co1 O1 C1 . . 33.5(2) no
O1W Co1 O1 C1 2_666 . 112.1(2) no
O1 Co1 N1 C9 . . -2.9(2) no
O2W Co1 N1 C9 . . -92.7(2) no
N2 Co1 N1 C9 . . 180.0(2) no
O1W Co1 N1 C9 . . 102.6(3) no
O1W Co1 N1 C9 2_666 . 87.8(2) no
O1 Co1 N1 C13 . . -176.36(16) no
O2W Co1 N1 C13 . . 93.83(17) no
N2 Co1 N1 C13 . . 6.49(16) no
O1W Co1 N1 C13 . . -70.9(4) no
O1W Co1 N1 C13 2_666 . -85.73(17) no
O2W Co1 N2 C18 . . 77.4(2) no
N1 Co1 N2 C18 . . 175.7(2) no
O1W Co1 N2 C18 . . -17.0(2) no
O1W Co1 N2 C18 2_666 . -95.8(2) no
O2W Co1 N2 C14 . . -103.74(18) no
N1 Co1 N2 C14 . . -5.35(16) no
O1W Co1 N2 C14 . . 161.92(17) no
O1W Co1 N2 C14 2_666 . 83.12(17) no
Co1 O1 C1 O2 . . -16.9(4) no
Co1 O1 C1 C2 . . 165.47(16) no
O2 C1 C2 C7 . . 2.5(4) no
O1 C1 C2 C7 . . -179.7(2) no
O2 C1 C2 C3 . . -178.0(3) no
O1 C1 C2 C3 . . -0.2(4) no
C7 C2 C3 C4 . . 0.8(5) no
C1 C2 C3 C4 . . -178.7(3) no
C2 C3 C4 C5 . . -0.2(5) no
C3 C4 C5 C6 . . -0.7(5) no
C3 C4 C5 C8 . . 176.7(3) no
C4 C5 C6 C7 . . 1.0(5) no
C8 C5 C6 C7 . . -176.3(3) no
C3 C2 C7 C6 . . -0.5(5) no
C1 C2 C7 C6 . . 179.0(3) no
C5 C6 C7 C2 . . -0.4(5) no
C6 C5 C8 O3 . . -0.4(7) no
C4 C5 C8 O3 . . -177.8(6) no
C6 C5 C8 O3' . . 168.4(5) no
C4 C5 C8 O3' . . -9.0(7) no
C13 N1 C9 C10 . . 0.2(4) no
Co1 N1 C9 C10 . . -173.1(2) no
N1 C9 C10 C11 . . 0.3(5) no
C9 C10 C11 C12 . . -0.7(5) no
C10 C11 C12 C13 . . 0.7(4) no
C9 N1 C13 C12 . . -0.1(4) no
Co1 N1 C13 C12 . . 173.83(19) no
C9 N1 C13 C14 . . 179.4(2) no
Co1 N1 C13 C14 . . -6.7(3) no
C11 C12 C13 N1 . . -0.3(4) no
C11 C12 C13 C14 . . -179.8(2) no
C18 N2 C14 C15 . . 1.8(4) no
Co1 N2 C14 C15 . . -177.2(2) no
C18 N2 C14 C13 . . -177.5(2) no
Co1 N2 C14 C13 . . 3.6(3) no
N1 C13 C14 N2 . . 2.1(3) no
C12 C13 C14 N2 . . -178.4(2) no
N1 C13 C14 C15 . . -177.1(2) no
C12 C13 C14 C15 . . 2.4(4) no
N2 C14 C15 C16 . . -1.2(4) no
C13 C14 C15 C16 . . 177.9(3) no
C14 C15 C16 C17 . . -0.1(5) no
C15 C16 C17 C18 . . 0.8(5) no
C14 N2 C18 C17 . . -1.0(4) no
Co1 N2 C18 C17 . . 177.9(2) no
C16 C17 C18 N2 . . -0.3(5) no
O4 C19 C20 C25 . . 178.3(3) no
O5 C19 C20 C25 . . -1.0(4) no
O4 C19 C20 C21 . . -1.1(4) no
O5 C19 C20 C21 . . 179.7(3) no
C25 C20 C21 C22 . . -0.5(5) no
C19 C20 C21 C22 . . 178.9(3) no
C20 C21 C22 C23 . . -0.8(6) no
C21 C22 C23 C24 . . 1.6(6) no
C21 C22 C23 C26 . . -176.4(4) no
C22 C23 C24 C25 . . -1.0(6) no
C26 C23 C24 C25 . . 177.1(4) no
C23 C24 C25 C20 . . -0.2(5) no
C21 C20 C25 C24 . . 1.0(5) no
C19 C20 C25 C24 . . -178.4(3) no
C22 C23 C26 O6' . . -1.2(11) no
C24 C23 C26 O6' . . -179.2(8) no
C22 C23 C26 O6 . . 169.9(8) no
C24 C23 C26 O6 . . -8.1(10) no
