#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/80/2018064.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_2018064
loop_
_publ_author_name
'Atria, Ana María'
'Corsini, Gino'
'Herrera, Natalia'
'Garland, Maria Teresa'
'Baggio, Ricardo'
_publ_section_title
;
 Two isomorphous transition metal complexes containing a protonated
 diaminopurine ligand:
 diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis(homophthalato-κO)nickel(II)
 tetrahydrate and the cobalt(II) analogue
;
_journal_coeditor_code           GD3385
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m169
_journal_page_last               m172
_journal_paper_doi               10.1107/S0108270111014521
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C9 H6 O4)2 (C5 H7 N6)2 (H2 O)2] , 4H2 O'
_chemical_formula_moiety         'C28 H30 Co N12 O10, 4(H2 O)'
_chemical_formula_sum            'C28 H38 Co N12 O14'
_chemical_formula_weight         825.41
_chemical_name_common
;
diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis(homophthalato-
κO)cobalt(II) tetrahydrate
;
_chemical_name_systematic
;
diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis[2-(2-
carboxylatophenyl)acetato-κO]cobalt(II) tetrahydrate
;
_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           SHELXL97
_cell_angle_alpha                107.400(4)
_cell_angle_beta                 90.371(4)
_cell_angle_gamma                118.019(3)
_cell_formula_units_Z            1
_cell_length_a                   9.651(2)
_cell_length_b                   10.045(2)
_cell_length_c                   10.661(2)
_cell_measurement_reflns_used    5666
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.14
_cell_measurement_theta_min      2.84
_cell_volume                     857.3(3)
_computing_cell_refinement       'SAINT-NT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-NT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_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  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7200
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.77
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS in SAINT-NT; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             429
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3659
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0508
_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)+(0.0645P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                2634
_reflns_number_total             3659
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd3385.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               2018064
_cod_database_fobs_code          2018064
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_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1 0.5000 0.5000 0.5000 0.02851(18) Uani d S 1 2 . .
C C11 0.2415(4) 0.3767(3) 0.6779(3) 0.0377(7) Uani d . 1 1 . .
H H11 0.1689 0.3847 0.6270 0.036(8) Uiso calc R 1 1 . .
C C21 0.3411(3) 0.3259(3) 0.8288(3) 0.0310(6) Uani d . 1 1 . .
C C31 0.3804(3) 0.2803(3) 0.9292(3) 0.0324(7) Uani d . 1 1 . .
C C41 0.6416(3) 0.3849(3) 0.8734(3) 0.0334(7) Uani d . 1 1 . .
C C51 0.4551(3) 0.3918(3) 0.7550(3) 0.0305(6) Uani d . 1 1 . .
N N11 0.3905(3) 0.4220(3) 0.6582(2) 0.0325(6) Uani d . 1 1 . .
N N21 0.2061(3) 0.3187(3) 0.7779(2) 0.0347(6) Uani d D 1 1 . .
H H21 0.1142(18) 0.274(3) 0.799(3) 0.032(8) Uiso d D 1 1 . .
N N31 0.5334(3) 0.3141(3) 0.9488(2) 0.0346(6) Uani d D 1 1 . .
H H31 0.561(5) 0.290(5) 1.012(3) 0.089(15) Uiso d D 1 1 . .
N N41 0.6074(3) 0.4223(3) 0.7736(2) 0.0335(6) Uani d . 1 1 . .
N N51 0.2807(4) 0.2093(3) 1.0033(3) 0.0424(6) Uani d D 1 1 . .
H H51A 0.313(4) 0.189(4) 1.067(2) 0.061(12) Uiso d D 1 1 . .
H H51B 0.1834(17) 0.186(4) 0.984(3) 0.048(10) Uiso d D 1 1 . .
N N61 0.7911(3) 0.4182(4) 0.9077(3) 0.0468(7) Uani d D 1 1 . .
H H61A 0.859(3) 0.450(4) 0.857(3) 0.070(13) Uiso d D 1 1 . .
H H61B 0.808(4) 0.391(4) 0.972(2) 0.055(11) Uiso d D 1 1 . .
C C12 0.7342(3) 0.1419(3) 0.2477(3) 0.0334(7) Uani d . 1 1 . .
C C22 0.6037(3) 0.0519(3) 0.3028(3) 0.0311(6) Uani d . 1 1 . .
C C32 0.6317(4) -0.0152(3) 0.3906(3) 0.0351(7) Uani d . 1 1 . .
H H32 0.5476 -0.0765 0.4268 0.034(8) Uiso calc R 1 1 . .
C C42 0.7816(4) 0.0073(4) 0.4251(3) 0.0417(8) Uani d . 1 1 . .
H H42 0.7974 -0.0365 0.4856 0.055(10) Uiso calc R 1 1 . .
C C52 0.9075(4) 0.0943(4) 0.3702(3) 0.0434(8) Uani d . 1 1 . .
H H52 1.0081 0.1089 0.3928 0.046(9) Uiso calc R 1 1 . .
C C62 0.8821(4) 0.1591(4) 0.2814(3) 0.0414(8) Uani d . 1 1 . .
H H62 0.9665 0.2160 0.2430 0.052(10) Uiso calc R 1 1 . .
C C72 0.7203(4) 0.2193(4) 0.1504(3) 0.0393(7) Uani d . 1 1 . .
C C82 0.4361(3) 0.0176(3) 0.2678(3) 0.0340(7) Uani d . 1 1 . .
H H82A 0.3657 -0.0651 0.3023 0.054(10) Uiso calc R 1 1 . .
H H82B 0.4062 -0.0263 0.1713 0.040(8) Uiso calc R 1 1 . .
C C92 0.4058(3) 0.1587(3) 0.3186(3) 0.0300(6) Uani d . 1 1 . .
O O12 0.4985(2) 0.2782(2) 0.41653(19) 0.0328(5) Uani d . 1 1 . .
O O22 0.2798(2) 0.1409(2) 0.2598(2) 0.0404(5) Uani d . 1 1 . .
O O32 0.5900(3) 0.2142(3) 0.1262(2) 0.0562(7) Uani d . 1 1 . .
O O42 0.8384(3) 0.2867(3) 0.0990(2) 0.0563(7) Uani d . 1 1 . .
O O1W 0.2711(2) 0.4047(3) 0.3931(2) 0.0365(5) Uani d D 1 1 . .
H H1WA 0.250(4) 0.3123(18) 0.342(3) 0.068(13) Uiso d D 1 1 . .
H H1WB 0.290(4) 0.462(3) 0.344(3) 0.079(14) Uiso d D 1 1 . .
O O2W -0.0338(3) 0.1487(3) 0.9033(3) 0.0502(6) Uani d D 1 1 . .
H H2WA -0.108(3) 0.060(3) 0.850(3) 0.084(15) Uiso d D 1 1 . .
H H2WB -0.078(4) 0.179(4) 0.966(3) 0.075(14) Uiso d D 1 1 . .
O O3WA 0.9126(6) 0.4074(6) 0.6224(9) 0.131(4) Uani d P 0.805(15) 1 . .
O O3WB 0.899(3) 0.447(3) 0.525(3) 0.141(11) Uiso d P 0.195(15) 1 . .
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
O1W Co1 O1W 2_666 . 180.0 ?
O1W Co1 O12 2_666 2_666 92.14(8) ?
O1W Co1 O12 . 2_666 87.86(8) ?
O1W Co1 O12 2_666 . 87.86(8) ?
O1W Co1 O12 . . 92.14(8) y
O12 Co1 O12 2_666 . 180.0 ?
O1W Co1 N11 2_666 . 91.36(8) ?
O1W Co1 N11 . . 88.64(8) y
O12 Co1 N11 2_666 . 90.73(8) ?
O12 Co1 N11 . . 89.27(8) y
O1W Co1 N11 2_666 2_666 88.64(8) ?
O1W Co1 N11 . 2_666 91.36(8) ?
O12 Co1 N11 2_666 2_666 89.27(8) ?
O12 Co1 N11 . 2_666 90.73(8) ?
N11 Co1 N11 . 2_666 180.0 ?
N11 C11 N21 . . 113.4(3) ?
N11 C11 H11 . . 123.3 ?
N21 C11 H11 . . 123.3 ?
N21 C21 C51 . . 106.1(2) ?
N21 C21 C31 . . 134.9(3) ?
C51 C21 C31 . . 119.0(3) ?
N51 C31 N31 . . 119.8(3) ?
N51 C31 C21 . . 125.2(3) ?
N31 C31 C21 . . 115.0(3) ?
N41 C41 N61 . . 119.4(3) ?
N41 C41 N31 . . 124.4(3) ?
N61 C41 N31 . . 116.2(3) ?
N41 C51 N11 . . 124.6(2) ?
N41 C51 C21 . . 125.6(3) ?
N11 C51 C21 . . 109.8(3) ?
C11 N11 C51 . . 104.1(2) ?
C11 N11 Co1 . . 128.38(19) ?
C51 N11 Co1 . . 127.26(19) ?
C11 N21 C21 . . 106.6(2) ?
C11 N21 H21 . . 126(2) ?
C21 N21 H21 . . 126(2) ?
C31 N31 C41 . . 122.5(3) ?
C31 N31 H31 . . 116(3) ?
C41 N31 H31 . . 121(3) ?
C41 N41 C51 . . 113.4(2) ?
C31 N51 H51A . . 121(2) ?
C31 N51 H51B . . 116(2) ?
H51A N51 H51B . . 123(3) ?
C41 N61 H61A . . 119(3) ?
C41 N61 H61B . . 117(2) ?
H61A N61 H61B . . 123(4) ?
C62 C12 C22 . . 119.7(3) ?
C62 C12 C72 . . 117.3(3) ?
C22 C12 C72 . . 123.0(3) ?
C32 C22 C12 . . 117.5(3) ?
C32 C22 C82 . . 118.1(3) ?
C12 C22 C82 . . 124.3(3) ?
C42 C32 C22 . . 121.7(3) ?
C42 C32 H32 . . 119.2 ?
C22 C32 H32 . . 119.2 ?
C52 C42 C32 . . 120.3(3) ?
C52 C42 H42 . . 119.8 ?
C32 C42 H42 . . 119.8 ?
C62 C52 C42 . . 119.1(3) ?
C62 C52 H52 . . 120.5 ?
C42 C52 H52 . . 120.5 ?
C52 C62 C12 . . 121.8(3) ?
C52 C62 H62 . . 119.1 ?
C12 C62 H62 . . 119.1 ?
O42 C72 O32 . . 123.2(3) ?
O42 C72 C12 . . 118.9(3) ?
O32 C72 C12 . . 117.9(3) ?
C22 C82 C92 . . 116.7(2) ?
C22 C82 H82A . . 108.1 ?
C92 C82 H82A . . 108.1 ?
C22 C82 H82B . . 108.1 ?
C92 C82 H82B . . 108.1 ?
H82A C82 H82B . . 107.3 ?
O12 C92 O22 . . 124.6(3) ?
O12 C92 C82 . . 119.5(2) ?
O22 C92 C82 . . 115.8(2) ?
C92 O12 Co1 . . 128.34(18) ?
Co1 O1W H1WA . . 104(2) ?
Co1 O1W H1WB . . 101(3) ?
H1WA O1W H1WB . . 106.0(15) ?
H2WA O2W H2WB . . 105.5(16) ?
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 O1W 2_666 2.103(2) ?
Co1 O1W . 2.103(2) y
Co1 O12 2_666 2.1308(19) ?
Co1 O12 . 2.1308(19) y
Co1 N11 . 2.147(2) y
Co1 N11 2_666 2.147(2) ?
C11 N11 . 1.329(3) ?
C11 N21 . 1.335(4) ?
C11 H11 . 0.9300 ?
C21 N21 . 1.370(4) ?
C21 C51 . 1.380(4) ?
C21 C31 . 1.397(4) ?
C31 N51 . 1.328(4) ?
C31 N31 . 1.349(4) ?
C41 N41 . 1.318(3) ?
C41 N61 . 1.339(4) ?
C41 N31 . 1.378(4) ?
C51 N41 . 1.353(3) ?
C51 N11 . 1.380(3) ?
N21 H21 . 0.853(10) ?
N31 H31 . 0.860(10) ?
N51 H51A . 0.859(10) ?
N51 H51B . 0.861(10) ?
N61 H61A . 0.856(10) ?
N61 H61B . 0.845(10) ?
C12 C62 . 1.385(4) ?
C12 C22 . 1.416(4) ?
C12 C72 . 1.510(4) ?
C22 C32 . 1.395(4) ?
C22 C82 . 1.506(4) ?
C32 C42 . 1.384(4) ?
C32 H32 . 0.9300 ?
C42 C52 . 1.378(4) ?
C42 H42 . 0.9300 ?
C52 C62 . 1.377(4) ?
C52 H52 . 0.9300 ?
C62 H62 . 0.9300 ?
C72 O42 . 1.250(3) ?
C72 O32 . 1.256(4) ?
C82 C92 . 1.524(4) ?
C82 H82A . 0.9700 ?
C82 H82B . 0.9700 ?
C92 O12 . 1.249(3) ?
C92 O22 . 1.274(3) ?
O1W H1WA . 0.849(10) ?
O1W H1WB . 0.846(10) ?
O2W H2WA . 0.851(10) ?
O2W H2WB . 0.850(10) ?
O3WA O3WB . 1.24(3) ?
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
O1W H1WA O22 . 0.85(3) 1.83(3) 2.647(3) 159(4)
O1W H1WB N41 2_666 0.84(3) 1.92(3) 2.741(3) 161(4)
N31 H31 O32 1_556 0.86(3) 1.69(3) 2.552(3) 171(4)
N51 H51A O22 1_556 0.86(3) 2.24(3) 3.011(3) 149(3)
N61 H61B O42 1_556 0.84(3) 2.04(3) 2.877(4) 170(3)
O2W H2WA O22 2_556 0.85(3) 1.89(3) 2.748(3) 178(3)
O2W H2WB O42 1_456 0.85(3) 1.93(3) 2.775(3) 170(4)
N21 H21 O2W . 0.85(3) 2.00(3) 2.785(3) 151(3)
N51 H51B O2W . 0.86(3) 2.08(3) 2.926(4) 166(3)
N61 H61A O3WA . 0.85(3) 2.51(3) 3.257(9) 147(3)
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N21 C21 C31 N51 . . . . 1.2(5) ?
C51 C21 C31 N51 . . . . -176.9(3) ?
N21 C21 C31 N31 . . . . -178.5(3) ?
C51 C21 C31 N31 . . . . 3.4(4) ?
N21 C21 C51 N41 . . . . 179.0(3) ?
C31 C21 C51 N41 . . . . -2.3(4) ?
N21 C21 C51 N11 . . . . -1.1(3) ?
C31 C21 C51 N11 . . . . 177.5(2) ?
N21 C11 N11 C51 . . . . -0.8(3) ?
N21 C11 N11 Co1 . . . . 173.23(19) ?
N41 C51 N11 C11 . . . . -179.0(3) ?
C21 C51 N11 C11 . . . . 1.2(3) ?
N41 C51 N11 Co1 . . . . 6.9(4) ?
C21 C51 N11 Co1 . . . . -172.94(18) ?
O1W Co1 N11 C11 2_666 . . . 164.5(2) ?
O1W Co1 N11 C11 . . . . -15.5(2) ?
O12 Co1 N11 C11 2_666 . . . 72.3(2) ?
O12 Co1 N11 C11 . . . . -107.7(2) ?
O1W Co1 N11 C51 2_666 . . . -22.8(2) ?
O1W Co1 N11 C51 . . . . 157.2(2) ?
O12 Co1 N11 C51 2_666 . . . -114.9(2) ?
O12 Co1 N11 C51 . . . . 65.1(2) ?
N11 C11 N21 C21 . . . . 0.1(3) ?
C51 C21 N21 C11 . . . . 0.6(3) ?
C31 C21 N21 C11 . . . . -177.7(3) ?
N51 C31 N31 C41 . . . . 178.8(3) ?
C21 C31 N31 C41 . . . . -1.4(4) ?
N41 C41 N31 C31 . . . . -2.0(4) ?
N61 C41 N31 C31 . . . . 177.1(3) ?
N61 C41 N41 C51 . . . . -176.0(3) ?
N31 C41 N41 C51 . . . . 3.1(4) ?
N11 C51 N41 C41 . . . . 179.3(3) ?
C21 C51 N41 C41 . . . . -0.9(4) ?
C62 C12 C22 C32 . . . . 0.4(4) ?
C72 C12 C22 C32 . . . . 179.3(3) ?
C62 C12 C22 C82 . . . . -176.5(3) ?
C72 C12 C22 C82 . . . . 2.4(4) ?
C12 C22 C32 C42 . . . . 1.2(4) ?
C82 C22 C32 C42 . . . . 178.3(3) ?
C22 C32 C42 C52 . . . . -1.7(5) ?
C32 C42 C52 C62 . . . . 0.4(5) ?
C42 C52 C62 C12 . . . . 1.2(5) ?
C22 C12 C62 C52 . . . . -1.7(5) ?
C72 C12 C62 C52 . . . . 179.4(3) ?
C62 C12 C72 O42 . . . . 4.1(4) ?
C22 C12 C72 O42 . . . . -174.8(3) ?
C62 C12 C72 O32 . . . . -175.1(3) ?
C22 C12 C72 O32 . . . . 6.0(4) ?
C32 C22 C82 C92 . . . . 112.3(3) ?
C12 C22 C82 C92 . . . . -70.8(4) ?
C22 C82 C92 O12 . . . . -22.1(4) ?
C22 C82 C92 O22 . . . . 161.3(3) ?
O22 C92 O12 Co1 . . . . -9.4(4) ?
C82 C92 O12 Co1 . . . . 174.32(17) ?
O1W Co1 O12 C92 2_666 . . . -166.1(2) ?
O1W Co1 O12 C92 . . . . 13.9(2) ?
N11 Co1 O12 C92 . . . . 102.6(2) ?
N11 Co1 O12 C92 2_666 . . . -77.4(2) ?
