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Diaqua-[5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]cobalt(II).
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MedLine Citation:
PMID:  21754687     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
In the title complex, [Co(C(12)H(8)N(4)O(8))(H(2)O)(2)], the Co(II) atom is coordinated by two N and two O atoms of the tetra-dentate 5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxy-l-ate) anion. The slightly distorted octa-hedral coordination environment is completed by the O atoms of two water mol-ecules in axial positions. An intra-molecular O-H⋯O hydrogen bond between the carb-oxy and carboxyl-ate groups stabilizes the mol-ecular configuration. Adjacent mol-ecules are linked through O-H⋯O and N-H⋯O hydrogen bonds between the carb-oxy/carboxyl-ate groups, water mol-ecules and imidazole fragments into a three-dimensional network.
Authors:
Ying Wang; Xin-Lian Gao
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Publication Detail:
Type:  Journal Article     Date:  2011-05-28
Journal Detail:
Title:  Acta crystallographica. Section E, Structure reports online     Volume:  67     ISSN:  1600-5368     ISO Abbreviation:  Acta Crystallogr Sect E Struct Rep Online     Publication Date:  2011 Jun 
Date Detail:
Created Date:  2011-07-14     Completed Date:  2011-07-14     Revised Date:  2013-03-29    
Medline Journal Info:
Nlm Unique ID:  101089178     Medline TA:  Acta Crystallogr Sect E Struct Rep Online     Country:  England    
Other Details:
Languages:  eng     Pagination:  m815     Citation Subset:  -    
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Journal Information
Journal ID (nlm-ta): Acta Crystallogr Sect E Struct Rep Online
Journal ID (publisher-id): Acta Cryst. E
ISSN: 1600-5368
Publisher: International Union of Crystallography
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A full version of this article is available from Crystallography Journals Online.© Wang and Gao 2011
open-access:
Received Day: 04 Month: 5 Year: 2011
Accepted Day: 24 Month: 5 Year: 2011
collection publication date: Day: 01 Month: 6 Year: 2011
Electronic publication date: Day: 28 Month: 5 Year: 2011
pmc-release publication date: Day: 28 Month: 5 Year: 2011
Volume: 67 Issue: Pt 6
First Page: m815 Last Page: m815
ID: 3120334
PubMed Id: 21754687
Publisher Id: wm2487
DOI: 10.1107/S1600536811019672
Coden: ACSEBH
Publisher Item Identifier: S1600536811019672
Diaqua­[5,5′-dicarb­oxy-2,2′-(ethane-1,2-di­yl)bis­(1H-imidazole-4-carboxyl­ato)]cobalt(II) Alternate Title:[Co(C12H8N4O8)(H2O)2]
Ying Wanga*
Xin-Lian Gaob
aDepartment of Geriatrics, The First Affiliated Hospital, Zhengzhou University, Zhengzhou 450000, People’s Republic of China
bHenan University of Traditional Chinese Medicine, Zhengzhou 450008, People’s Republic of China
Correspondence: Correspondence e-mail: 13623712409@139.com
Related literature

For background to complexes based on 1H-imidazole-4,5-dicarb­oxy­lic acid and its derivatives, see: Das et al. (2010 ▶); Sun et al. (2010 ▶); Zhang et al. (2010 ▶).[Chemical Structure ID: scheme1]

Experimental
Crystal data

  • [Co(C12H8N4O8)(H2O)2]
  • Mr = 431.19
  • Orthorhombic,
  • a = 24.683 (5) Å
  • b = 27.885 (6) Å
  • c = 8.7340 (17) Å
  • V = 6012 (2) Å3
  • Z = 16
  • Mo Kα radiation
  • μ = 1.21 mm−1
  • T = 293 K
  • 0.18 × 0.14 × 0.09 mm

Data collection

  • Rigaku Saturn CCD diffractometer
  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006 ▶) Tmin = 0.811, Tmax = 0.899
  • 7187 measured reflections
  • 2693 independent reflections
  • 2223 reflections with I > 2σ(I)
  • Rint = 0.046

Refinement

  • R[F2 > 2σ(F2)] = 0.047
  • wR(F2) = 0.079
  • S = 1.01
  • 2693 reflections
  • 245 parameters
  • 1 restraint
  • H-atom parameters constrained
  • Δρmax = 0.37 e Å−3
  • Δρmin = −0.35 e Å−3
  • Absolute structure: Flack (1983) ▶, 1126 Friedel pairs
  • Flack parameter: 0.20 (2)

Data collection: CrystalClear (Rigaku/MSC, 2006 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811019672/wm2487sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811019672/wm2487Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Notes

fnu1Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2487).

supplementary crystallographic information
Comment

A large number of metal complexes constructed from the ligand 1H-imidazole-4,5-dicarboxylic acid or its derivatives have been reported. This ligand shows versatile binding modes and high binding capacity with almost all soft and hard metal ions (Das et al., 2010; Sun et al., 2010; Zhang et al., 2010). In order to further explore complexes with novel structures, we obtained the title complex [Co(H4eidc)(H2O)2], (I), through the reaction of 2,2'-(ethane-1,2-diyl)bis(1H-imidazole-4,5-dicarboxylic acid (H6eidc) with cobalt dichloride.

As shown in Figure 1, the Co(II) cation in (I) is hexacoordinated and features a slightly octahedral coordination environment. N1, O1, N3, O5 atoms from the tetradentate H4eidc2- anion coordinate to the cation in a chelating fashion and O9, O10 atoms from water molecules complete the coordination polyhedron. Atoms N1, N3, O1, O5 and Co are nearly co-planar (the mean deviation from the plane is 0.08 Å). The bond angle between the O atoms of the two water molecules and the metal is 171.87 (13) °. As shown in Figure 2, intramolecular O—H···O hydrogen bonds between the carboxyl/carboxylate groups stabilize the molecular configuration whereas O—H···O and N—H···O hydrogen bonds between the water molecules and carboxylate O atoms and between imidazole groups and carboxylate O atoms of adjacent molecules consolidate the crystal packing.

Experimental

The ligand 2,2'-(ethane-1,2-diyl)bis(1H-imidazole-4,5-dicarboxylic acid (0.05 mmol) in methanol (4 ml) was added dropwise to a methanol solution (3 ml) of cobalt dichloride (0.05 mmol). The resulting solution was allowed to stand at room temperature. After four weeks red crystals with good quality were obtained from the filtrate and dried in air.

Refinement

The crystal of the title complex was twinned (twin ratio 0.8:0.2). H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.97 Å, N—H = 0.86 Å and O—H = 0.85 Å, and with Uiso(H) = 1.2 Ueq(C,N,O).

Figures
Crystal data
Data collection
Refinement
Special details
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Atomic displacement parameters (Å2)
Geometric parameters (Å, °)
Hydrogen-bond geometry (Å, °)

Symmetry codes: (i) x, y, z+1; (ii) −x+1/4, y+1/4, z−3/4; (iii) −x+1/4, y+1/4, z+1/4; (iv) x−1/4, −y+1/4, z+3/4; (v) x, y, z−1; (vi) x+1/4, −y+1/4, z−3/4.

References
Das, S., Saha, D., Bhaumik, C., Dutta, S. & Baitalik, S. (2010). Dalton Trans. pp. 4162–4169.
Flack, H. D. (1983). Acta Cryst. A39, 876–881.
Rigaku/MSC (2006). CrystalClear Rigaku/MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Sun, Y.-G., Guo, M.-Y., Xiong, G., Ding, F., Wang, L., Jiang, B., Zhu, M.-C., Gao, E.-J. & Verpoort, F. (2010). J. Coord. Chem.63, 4188–4200.
Zhang, F.-W., Li, Z.-F., Ge, T.-Z., Yao, H.-C., Li, G., Lu, H.-J. & Zhu, Y.-Y. (2010). Inorg. Chem.49, 3776–3788.
Figures

[Figure ID: Fap1] 		Fig. 1. 

View of the molecular structure of the title complex, showing the labelling of the atoms. Displacement ellipsoids are drawn at the 30% probability level.

[Figure ID: Fap2] 		Fig. 2. 

View of the crystal packing of the title complex, showing the three-dimensional structure stabilized by hydrogen bonds.
Tables
[TableWrap ID: d1e140]
[Co(C12H8N4O8)(H2O)2] F(000) = 3504
Mr = 431.19 Dx = 1.906 Mg m−3
Orthorhombic, Fdd2 Mo Kα radiation, λ = 0.71073 Å
Hall symbol: F 2 -2d θ = 2.6–27.8°
a = 24.683 (5) Å µ = 1.21 mm−1
b = 27.885 (6) Å T = 293 K
c = 8.7340 (17) Å Prism, red
V = 6012 (2) Å3 0.18 × 0.14 × 0.09 mm
Z = 16

[TableWrap ID: d1e270]
Rigaku Saturn CCD diffractometer 2693 independent reflections
Radiation source: fine-focus sealed tube 2223 reflections with I > 2σ(I)
graphite Rint = 0.046
Detector resolution: 28.5714 pixels mm-1 θmax = 26.0°, θmin = 2.2°
ω scans h = −30→11
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006) k = −31→33
Tmin = 0.811, Tmax = 0.899 l = −10→10
7187 measured reflections

[TableWrap ID: d1e390]
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.047 H-atom parameters constrained
wR(F2) = 0.079 w = 1/[σ2(Fo2) + (0.0302P)2] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
2693 reflections Δρmax = 0.37 e Å−3
245 parameters Δρmin = −0.35 e Å−3
1 restraint Absolute structure: Flack (1983), 1126 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.20 (2)

[TableWrap ID: d1e549]
Geometry. 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.
Refinement. 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.

[TableWrap ID: d1e648]
x y z Uiso*/Ueq
Co1 0.15380 (3) 0.073588 (18) 0.83795 (11) 0.02698 (17)
N1 0.17562 (18) 0.12247 (13) 0.6742 (5) 0.0234 (9)
N2 0.19660 (17) 0.17992 (13) 0.5122 (5) 0.0266 (11)
H2A 0.2014 0.2082 0.4751 0.032*
N3 0.13408 (17) 0.12246 (13) 1.0033 (5) 0.0246 (10)
N4 0.11839 (17) 0.17995 (13) 1.1637 (5) 0.0238 (11)
H4A 0.1174 0.2081 1.2039 0.029*
O1 0.18202 (16) 0.02761 (10) 0.6567 (4) 0.0338 (9)
O2 0.21834 (16) 0.02922 (12) 0.4193 (4) 0.0447 (11)
O3 0.24378 (15) 0.09236 (12) 0.2360 (4) 0.0375 (9)
H3 0.2268 0.0720 0.2902 0.045*
O4 0.24502 (15) 0.17202 (12) 0.2168 (4) 0.0381 (9)
O5 0.11949 (15) 0.02774 (11) 1.0134 (4) 0.0329 (9)
O6 0.07457 (15) 0.03203 (11) 1.2358 (4) 0.0366 (10)
O7 0.05925 (15) 0.09672 (12) 1.4375 (4) 0.0377 (10)
H7 0.0609 0.0725 1.3788 0.045*
O8 0.06967 (16) 0.17524 (12) 1.4593 (5) 0.0422 (10)
O9 0.07403 (15) 0.07148 (10) 0.7490 (4) 0.0338 (9)
H1W 0.0467 0.0730 0.8078 0.041*
H2W 0.0669 0.0888 0.6714 0.041*
O10 0.22935 (16) 0.06549 (14) 0.9300 (5) 0.0521 (12)
H3W 0.2464 0.0581 1.0112 0.062*
H4W 0.2547 0.0804 0.8846 0.062*
C1 0.1996 (2) 0.04938 (18) 0.5417 (6) 0.0318 (13)
C2 0.1972 (2) 0.10239 (16) 0.5440 (6) 0.0263 (12)
C3 0.2095 (2) 0.13797 (16) 0.4409 (5) 0.0229 (11)
C4 0.2348 (2) 0.13487 (19) 0.2884 (6) 0.0317 (13)
C5 0.1748 (2) 0.16963 (16) 0.6526 (6) 0.0236 (12)
C6 0.1512 (2) 0.20512 (18) 0.7602 (6) 0.0331 (14)
H6A 0.1122 0.2012 0.7587 0.040*
H6B 0.1590 0.2369 0.7208 0.040*
C7 0.1698 (2) 0.20335 (17) 0.9274 (6) 0.0300 (13)
H7A 0.2079 0.1949 0.9295 0.036*
H7B 0.1664 0.2352 0.9708 0.036*
C8 0.1398 (2) 0.16921 (17) 1.0263 (6) 0.0257 (12)
C9 0.09834 (19) 0.13883 (16) 1.2301 (6) 0.0244 (11)
C10 0.0749 (2) 0.13908 (18) 1.3862 (6) 0.0278 (12)
C11 0.1094 (2) 0.10327 (15) 1.1278 (5) 0.0216 (12)
C12 0.1005 (2) 0.05041 (17) 1.1266 (6) 0.0291 (14)

[TableWrap ID: d1e1155]
U11 U22 U33 U12 U13 U23
Co1 0.0348 (4) 0.0239 (3) 0.0222 (3) 0.0011 (4) 0.0053 (3) −0.0014 (3)
N1 0.031 (2) 0.020 (2) 0.019 (2) 0.0002 (18) 0.0058 (19) 0.0023 (17)
N2 0.031 (3) 0.025 (2) 0.024 (3) −0.0094 (19) 0.008 (2) 0.005 (2)
N3 0.032 (3) 0.021 (2) 0.022 (2) 0.0027 (18) −0.001 (2) 0.0001 (19)
N4 0.032 (3) 0.018 (2) 0.022 (3) −0.0025 (18) 0.000 (2) 0.0005 (18)
O1 0.050 (3) 0.0237 (18) 0.027 (2) −0.0017 (17) 0.0098 (19) −0.0023 (17)
O2 0.067 (3) 0.039 (2) 0.028 (2) 0.0071 (19) 0.017 (2) −0.0122 (18)
O3 0.044 (3) 0.048 (2) 0.021 (2) 0.0008 (18) 0.0092 (18) −0.0042 (18)
O4 0.032 (2) 0.053 (2) 0.029 (2) 0.0013 (18) 0.0013 (19) 0.0115 (19)
O5 0.044 (3) 0.0230 (18) 0.032 (2) −0.0022 (17) 0.001 (2) −0.0014 (18)
O6 0.050 (3) 0.0273 (18) 0.032 (2) −0.0022 (17) 0.0041 (19) 0.0078 (18)
O7 0.047 (3) 0.044 (2) 0.022 (2) −0.0041 (19) 0.0046 (19) −0.0017 (18)
O8 0.055 (3) 0.042 (2) 0.030 (2) −0.0036 (18) 0.015 (2) −0.0133 (19)
O9 0.032 (2) 0.0422 (19) 0.028 (2) 0.0034 (16) 0.0054 (17) 0.0032 (19)
O10 0.045 (3) 0.077 (3) 0.034 (3) 0.012 (2) −0.005 (2) −0.006 (2)
C1 0.035 (3) 0.034 (3) 0.027 (3) 0.001 (2) −0.002 (2) −0.011 (3)
C2 0.024 (3) 0.025 (3) 0.029 (3) −0.001 (2) 0.004 (2) −0.001 (2)
C3 0.025 (3) 0.028 (3) 0.016 (3) 0.000 (2) 0.001 (2) −0.003 (2)
C4 0.027 (3) 0.046 (3) 0.023 (3) 0.006 (3) −0.005 (2) −0.002 (3)
C5 0.026 (3) 0.026 (3) 0.018 (3) 0.004 (2) 0.006 (2) 0.000 (2)
C6 0.044 (4) 0.025 (3) 0.030 (3) 0.006 (2) 0.016 (3) 0.003 (2)
C7 0.041 (4) 0.023 (3) 0.025 (3) −0.008 (2) 0.004 (3) 0.000 (2)
C8 0.037 (3) 0.026 (3) 0.014 (3) 0.005 (2) 0.001 (2) 0.002 (2)
C9 0.030 (3) 0.023 (3) 0.020 (3) 0.001 (2) −0.002 (2) 0.005 (2)
C10 0.023 (3) 0.035 (3) 0.025 (3) −0.002 (2) 0.004 (2) 0.001 (3)
C11 0.032 (3) 0.019 (2) 0.014 (3) 0.000 (2) 0.001 (2) 0.004 (2)
C12 0.030 (3) 0.031 (3) 0.027 (4) 0.002 (2) −0.002 (3) 0.002 (3)

[TableWrap ID: d1e1663]
Co1—O10 2.043 (4) O6—C12 1.258 (6)
Co1—N3 2.044 (4) O7—C10 1.321 (6)
Co1—N1 2.048 (4) O7—H7 0.8501
Co1—O9 2.118 (4) O8—C10 1.200 (5)
Co1—O1 2.153 (3) O9—H1W 0.8500
Co1—O5 2.168 (4) O9—H2W 0.8498
N1—C5 1.329 (6) O10—H3W 0.8501
N1—C2 1.375 (6) O10—H4W 0.8499
N2—C3 1.363 (6) C1—C2 1.479 (7)
N2—C5 1.370 (6) C2—C3 1.374 (6)
N2—H2A 0.8600 C3—C4 1.474 (7)
N3—C8 1.327 (6) C5—C6 1.484 (7)
N3—C11 1.357 (6) C6—C7 1.532 (6)
N4—C8 1.345 (6) C6—H6A 0.9700
N4—C9 1.377 (6) C6—H6B 0.9700
N4—H4A 0.8600 C7—C8 1.484 (7)
O1—C1 1.252 (6) C7—H7A 0.9700
O2—C1 1.293 (6) C7—H7B 0.9700
O3—C4 1.290 (6) C9—C11 1.362 (6)
O3—H3 0.8501 C9—C10 1.481 (7)
O4—C4 1.236 (6) C11—C12 1.490 (6)
O5—C12 1.264 (6)
O10—Co1—N3 90.75 (16) C3—C2—N1 109.5 (4)
O10—Co1—N1 96.21 (17) C3—C2—C1 134.7 (5)
N3—Co1—N1 96.43 (12) N1—C2—C1 115.7 (4)
O10—Co1—O9 171.87 (13) N2—C3—C2 105.6 (4)
N3—Co1—O9 93.23 (14) N2—C3—C4 124.2 (4)
N1—Co1—O9 90.39 (15) C2—C3—C4 130.1 (5)
O10—Co1—O1 85.88 (15) O4—C4—O3 123.8 (5)
N3—Co1—O1 173.42 (16) O4—C4—C3 119.7 (5)
N1—Co1—O1 78.35 (15) O3—C4—C3 116.6 (5)
O9—Co1—O1 90.83 (14) N1—C5—N2 109.2 (4)
O10—Co1—O5 90.76 (16) N1—C5—C6 125.2 (5)
N3—Co1—O5 78.52 (15) N2—C5—C6 125.5 (4)
N1—Co1—O5 171.47 (16) C5—C6—C7 117.7 (5)
O9—Co1—O5 83.09 (13) C5—C6—H6A 107.9
O1—Co1—O5 107.14 (10) C7—C6—H6A 107.9
C5—N1—C2 106.9 (4) C5—C6—H6B 107.9
C5—N1—Co1 139.0 (4) C7—C6—H6B 107.9
C2—N1—Co1 114.1 (3) H6A—C6—H6B 107.2
C3—N2—C5 108.7 (4) C8—C7—C6 115.2 (5)
C3—N2—H2A 125.6 C8—C7—H7A 108.5
C5—N2—H2A 125.6 C6—C7—H7A 108.5
C8—N3—C11 108.3 (4) C8—C7—H7B 108.5
C8—N3—Co1 137.5 (4) C6—C7—H7B 108.5
C11—N3—Co1 114.2 (3) H7A—C7—H7B 107.5
C8—N4—C9 109.4 (4) N3—C8—N4 108.2 (4)
C8—N4—H4A 125.3 N3—C8—C7 126.5 (5)
C9—N4—H4A 125.3 N4—C8—C7 125.0 (4)
C1—O1—Co1 114.4 (3) C11—C9—N4 104.9 (4)
C4—O3—H3 109.4 C11—C9—C10 133.3 (5)
C12—O5—Co1 113.8 (3) N4—C9—C10 121.6 (5)
C10—O7—H7 119.6 O8—C10—O7 122.7 (5)
Co1—O9—H1W 121.1 O8—C10—C9 122.4 (5)
Co1—O9—H2W 118.0 O7—C10—C9 115.0 (4)
H1W—O9—H2W 106.7 N3—C11—C9 109.2 (4)
Co1—O10—H3W 143.7 N3—C11—C12 116.8 (4)
Co1—O10—H4W 115.7 C9—C11—C12 134.0 (5)
H3W—O10—H4W 98.3 O6—C12—O5 125.3 (5)
O1—C1—O2 125.2 (5) O6—C12—C11 118.2 (5)
O1—C1—C2 117.4 (4) O5—C12—C11 116.5 (4)
O2—C1—C2 117.4 (5)
O10—Co1—N1—C5 −98.6 (6) C2—C3—C4—O4 −176.2 (5)
N3—Co1—N1—C5 −7.2 (6) N2—C3—C4—O3 −179.1 (4)
O9—Co1—N1—C5 86.1 (5) C2—C3—C4—O3 5.5 (8)
O1—Co1—N1—C5 176.9 (6) C2—N1—C5—N2 −1.4 (6)
O10—Co1—N1—C2 82.6 (3) Co1—N1—C5—N2 179.8 (4)
N3—Co1—N1—C2 174.1 (3) C2—N1—C5—C6 175.6 (5)
O9—Co1—N1—C2 −92.6 (3) Co1—N1—C5—C6 −3.3 (9)
O1—Co1—N1—C2 −1.9 (3) C3—N2—C5—N1 2.5 (6)
O10—Co1—N3—C8 85.1 (6) C3—N2—C5—C6 −174.4 (5)
N1—Co1—N3—C8 −11.2 (6) N1—C5—C6—C7 52.6 (8)
O9—Co1—N3—C8 −102.0 (5) N2—C5—C6—C7 −131.0 (5)
O5—Co1—N3—C8 175.7 (6) C5—C6—C7—C8 −85.6 (5)
O10—Co1—N3—C11 −92.9 (4) C11—N3—C8—N4 −0.7 (6)
N1—Co1—N3—C11 170.8 (3) Co1—N3—C8—N4 −178.7 (4)
O9—Co1—N3—C11 80.0 (3) C11—N3—C8—C7 173.0 (5)
O5—Co1—N3—C11 −2.2 (3) Co1—N3—C8—C7 −5.0 (9)
O10—Co1—O1—C1 −95.3 (4) C9—N4—C8—N3 −0.1 (6)
N1—Co1—O1—C1 2.0 (4) C9—N4—C8—C7 −173.9 (5)
O9—Co1—O1—C1 92.2 (4) C6—C7—C8—N3 56.8 (8)
O5—Co1—O1—C1 175.2 (3) C6—C7—C8—N4 −130.5 (5)
O10—Co1—O5—C12 95.0 (4) C8—N4—C9—C11 0.9 (5)
N3—Co1—O5—C12 4.4 (4) C8—N4—C9—C10 176.7 (5)
O9—Co1—O5—C12 −90.3 (4) C11—C9—C10—O8 178.3 (5)
O1—Co1—O5—C12 −179.1 (3) N4—C9—C10—O8 3.8 (8)
Co1—O1—C1—O2 −179.7 (4) C11—C9—C10—O7 −3.0 (8)
Co1—O1—C1—C2 −1.7 (6) N4—C9—C10—O7 −177.4 (4)
C5—N1—C2—C3 −0.2 (6) C8—N3—C11—C9 1.2 (6)
Co1—N1—C2—C3 178.9 (3) Co1—N3—C11—C9 179.8 (3)
C5—N1—C2—C1 −177.5 (4) C8—N3—C11—C12 −178.4 (4)
Co1—N1—C2—C1 1.7 (5) Co1—N3—C11—C12 0.2 (5)
O1—C1—C2—C3 −176.3 (6) N4—C9—C11—N3 −1.3 (5)
O2—C1—C2—C3 1.9 (9) C10—C9—C11—N3 −176.4 (5)
O1—C1—C2—N1 0.1 (7) N4—C9—C11—C12 178.2 (5)
O2—C1—C2—N1 178.3 (5) C10—C9—C11—C12 3.1 (10)
C5—N2—C3—C2 −2.5 (6) Co1—O5—C12—O6 173.6 (4)
C5—N2—C3—C4 −178.9 (5) Co1—O5—C12—C11 −5.6 (6)
N1—C2—C3—N2 1.7 (6) N3—C11—C12—O6 −175.4 (5)
C1—C2—C3—N2 178.3 (5) C9—C11—C12—O6 5.1 (8)
N1—C2—C3—C4 177.8 (5) N3—C11—C12—O5 3.8 (7)
C1—C2—C3—C4 −5.7 (10) C9—C11—C12—O5 −175.6 (5)
N2—C3—C4—O4 −0.8 (8)

[TableWrap ID: d1e2701]
D—H···A D—H H···A D···A D—H···A
O3—H3···O2 0.85 1.65 2.461 (5) 157
O7—H7···O6 0.85 1.72 2.550 (5) 166
O10—H3W···O3i 0.85 2.18 2.799 (5) 129
N2—H2A···O6ii 0.86 2.16 2.904 (5) 145
N4—H4A···O5iii 0.86 2.04 2.878 (5) 166
O9—H1W···O4iv 0.85 1.89 2.730 (5) 170
O9—H2W···O7v 0.85 2.06 2.834 (5) 150
O10—H4W···O8vi 0.85 2.22 2.958 (5) 145

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