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The title complex, {[Co(4,4′-bipy)(H2O)4](CCA)·2H2O}n (where bipy is bi­pyridine, C10H8N2, and CCA2− is 2-carboxyl­atocinnamate, C10H6O4), is a linear polymer constructed from cobalt and 4,4′-bipy, and which contains uncoordinated CCA2− counter-ions. There are two independent formula units in the asymmetric unit. O—H...O hydrogen bonds connect the structure into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804026054/lh6283sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804026054/lh6283Isup2.hkl
Contains datablock I

CCDC reference: 255443

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.022
  • wR factor = 0.045
  • Data-to-parameter ratio = 9.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 24
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C20 H26 Co1 N2 O10 Atom count from _chemical_formula_moiety:C20 H24 Co1 N2 O8 REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 6621 Count of symmetry unique reflns 5178 Completeness (_total/calc) 127.87% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1443 Fraction of Friedel pairs measured 0.279 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and PLATON (Spek, 2004); software used to prepare material for publication: SHELXTL.

catena-poly[[[tetraaquacobalt(II)]-µ-4,4-bipyridine-κ2N:N'] 2-carboxylatocinnamate dihydrate] top
Crystal data top
[Co(C10H8N2)(H2O)4](C10H6O4)·2H2OZ = 2
Mr = 513.36F(000) = 534
Triclinic, P1Dx = 1.512 Mg m3
Hall symbol: P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.3854 (15) ÅCell parameters from 3522 reflections
b = 11.432 (2) Åθ = 3.1–27.5°
c = 13.625 (3) ŵ = 0.82 mm1
α = 92.88 (3)°T = 173 K
β = 98.04 (3)°Prism, yellow
γ = 97.18 (3)°0.60 × 0.35 × 0.20 mm
V = 1127.4 (4) Å3
Data collection top
Rigaku Mercury70 (2 × 2 bin mode)
diffractometer
6621 independent reflections
Radiation source: fine-focus sealed tube6236 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.015
Detector resolution: 14.6306 pixels mm-1θmax = 27.5°, θmin = 3.1°
dtprofit.ref scansh = 89
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2000)
k = 1413
Tmin = 0.729, Tmax = 0.850l = 1717
8640 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.022H-atom parameters constrained
wR(F2) = 0.046 w = 1/[σ2(Fo2) + (0.1P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.93(Δ/σ)max = 0.006
6621 reflectionsΔρmax = 0.28 e Å3
667 parametersΔρmin = 0.29 e Å3
39 restraintsAbsolute structure: Flack (1983), 1443 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.008 (6)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.11535 (3)1.97581 (2)0.39631 (2)0.00951 (7)
Co20.09944 (3)2.24624 (2)0.89686 (2)0.00935 (7)
O1A0.3979 (2)1.99361 (17)0.42345 (15)0.0188 (4)
H1A10.459 (3)1.9413 (17)0.445 (2)0.028*
H1A20.467 (3)2.0608 (15)0.438 (2)0.028*
O2A0.1090 (2)1.96065 (17)0.24105 (13)0.0139 (4)
H2A20.209 (2)1.973 (2)0.2177 (18)0.021*
H2A10.030 (3)1.999 (2)0.2136 (17)0.021*
O3A0.1066 (3)1.98048 (17)0.55075 (13)0.0162 (4)
H3A20.182 (3)2.013 (2)0.5971 (16)0.024*
H3A10.004 (2)1.961 (2)0.5674 (19)0.024*
O4A0.1666 (2)1.96495 (17)0.37080 (14)0.0154 (4)
H4A20.219 (3)2.0241 (16)0.3568 (18)0.023*
H4A10.234 (3)1.9186 (18)0.4003 (17)0.023*
O1B0.0986 (2)2.26484 (17)1.04917 (13)0.0140 (4)
H1B10.046 (3)2.3251 (15)1.0573 (18)0.021*
H1B20.026 (3)2.2099 (16)1.0708 (18)0.021*
O2B0.0897 (2)2.23879 (16)0.73797 (13)0.0136 (4)
H2B20.010 (2)2.211 (2)0.7058 (18)0.020*
H2B10.175 (2)2.209 (2)0.7116 (17)0.020*
O3B0.1833 (2)2.24510 (16)0.86961 (13)0.0144 (4)
H3B20.260 (3)2.1832 (16)0.8665 (19)0.022*
H3B10.217 (3)2.2946 (17)0.9091 (17)0.022*
O4B0.3796 (2)2.25124 (17)0.91289 (15)0.0179 (4)
H4B20.432 (3)2.1903 (16)0.9105 (19)0.027*
H4B10.462 (3)2.3048 (17)0.9426 (19)0.027*
O1C0.3130 (2)2.40289 (15)0.98348 (12)0.0213 (4)
O2C0.0581 (2)2.44512 (14)1.09613 (11)0.0194 (4)
O3C0.3963 (2)2.20937 (14)1.44306 (11)0.0160 (4)
O4C0.3052 (2)2.16013 (14)1.29901 (11)0.0151 (3)
O1D0.6124 (2)1.81865 (14)0.47060 (11)0.0150 (3)
O2D0.7775 (2)1.90433 (14)0.61213 (11)0.0167 (4)
O3D0.5341 (2)2.05666 (14)0.86043 (11)0.0155 (3)
O4D0.6028 (2)1.97562 (15)1.00469 (11)0.0193 (4)
O1W0.4297 (2)2.01084 (19)0.17400 (13)0.0306 (5)
H1W10.508 (3)2.063 (2)0.2062 (18)0.046*
H1W20.466 (4)2.002 (3)0.1179 (15)0.046*
O2W0.3736 (2)2.11403 (17)0.68274 (12)0.0190 (4)
H2W20.465 (3)2.138 (2)0.6559 (17)0.029*
H2W10.420 (3)2.085 (2)0.7363 (14)0.029*
O3W0.1237 (2)2.10145 (15)1.13868 (12)0.0174 (4)
H3W20.209 (3)2.061 (2)1.0978 (16)0.026*
H3W10.176 (3)2.131 (2)1.1820 (16)0.026*
O4W0.2517 (2)2.14410 (16)0.62451 (12)0.0187 (4)
H4W20.264 (4)2.0695 (14)0.6134 (19)0.028*
H4W10.274 (4)2.173 (2)0.5717 (14)0.028*
N1A0.1339 (3)2.16772 (19)0.39597 (15)0.0107 (5)
N2A0.1049 (3)1.78624 (18)0.40060 (16)0.0111 (5)
N1B0.0777 (3)2.05534 (19)0.89784 (15)0.0110 (5)
N2B0.1200 (3)2.43592 (18)0.89280 (16)0.0117 (5)
C11A0.0857 (3)2.2274 (2)0.47338 (17)0.0157 (5)
H11A0.05252.18480.52770.019*
C12A0.0820 (3)2.3488 (2)0.47793 (17)0.0155 (5)
H12A0.05002.38750.53520.019*
C13A0.1247 (3)2.4128 (2)0.39962 (19)0.0123 (6)
C14A0.1745 (3)2.3513 (2)0.31810 (17)0.0136 (5)
H14A0.20442.39170.26200.016*
C15A0.1792 (3)2.2308 (2)0.32067 (17)0.0130 (5)
H15A0.21672.19040.26580.016*
C21A0.0608 (3)1.7161 (2)0.31642 (17)0.0136 (5)
H21A0.02291.75090.25640.016*
C22A0.0676 (3)1.5960 (2)0.31283 (17)0.0137 (5)
H22A0.03921.55050.25100.016*
C23A0.1163 (3)1.5417 (2)0.39990 (19)0.0109 (6)
C24A0.1601 (3)1.6143 (2)0.48773 (17)0.0153 (5)
H24A0.19331.58160.54940.018*
C25A0.1546 (3)1.7336 (2)0.48393 (18)0.0153 (5)
H25A0.18821.78190.54420.018*
C11B0.1404 (3)2.0035 (2)0.97955 (17)0.0152 (5)
H11B0.18382.05251.03860.018*
C12B0.1461 (3)1.8841 (2)0.98350 (17)0.0158 (5)
H12B0.18851.85261.04440.019*
C13B0.0894 (3)1.8092 (2)0.89750 (18)0.0108 (5)
C14B0.0235 (3)1.8627 (2)0.81224 (17)0.0155 (5)
H14B0.01701.81630.75150.019*
C15B0.0172 (3)1.9827 (2)0.81602 (16)0.0151 (5)
H15B0.03272.01610.75740.018*
C21B0.0062 (3)2.4830 (2)0.82435 (18)0.0156 (5)
H21B0.06922.43100.77410.019*
C22B0.0079 (3)2.6016 (2)0.82265 (18)0.0169 (5)
H22B0.09042.62980.77220.020*
C23B0.1011 (3)2.6810 (2)0.89631 (18)0.0102 (6)
C24B0.2195 (3)2.6326 (2)0.96650 (17)0.0131 (5)
H24B0.29662.68231.01770.016*
C25B0.2253 (3)2.5124 (2)0.96214 (17)0.0152 (5)
H25B0.30842.48201.01090.018*
C1C0.2195 (3)2.4565 (2)1.06107 (16)0.0131 (5)
C2C0.3098 (3)2.5430 (2)1.11956 (16)0.0117 (5)
C3C0.3096 (3)2.6581 (2)1.09072 (17)0.0164 (5)
H3C0.26202.67981.03200.020*
C4C0.3790 (3)2.7414 (2)1.14790 (17)0.0185 (5)
H4C0.37622.82041.12900.022*
C5C0.4519 (3)2.7094 (2)1.23195 (18)0.0176 (5)
H5C0.50302.76581.26960.021*
C6C0.4508 (3)2.5954 (2)1.26174 (17)0.0161 (5)
H6C0.50062.57431.32000.019*
C7C0.3765 (3)2.5106 (2)1.20658 (16)0.0122 (5)
C8C0.3607 (3)2.3912 (2)1.23984 (17)0.0141 (5)
H8C0.34642.33221.19090.017*
C9C0.3646 (3)2.3578 (2)1.33186 (17)0.0151 (5)
H9C0.37542.41581.38240.018*
C10C0.3529 (3)2.2345 (2)1.35952 (18)0.0129 (5)
C1D0.6721 (3)1.8197 (2)0.56137 (16)0.0123 (5)
C2D0.6138 (3)1.71074 (19)0.61433 (16)0.0118 (5)
C3D0.6242 (3)1.6010 (2)0.56746 (18)0.0180 (5)
H3D0.66491.59760.50440.022*
C4D0.5764 (4)1.4971 (2)0.61094 (19)0.0197 (5)
H4D0.58871.42320.57910.024*
C5D0.5103 (4)1.5014 (2)0.70143 (18)0.0221 (6)
H5D0.47311.43040.73080.027*
C6D0.4990 (3)1.6104 (2)0.74881 (18)0.0183 (5)
H6D0.45351.61280.81060.022*
C7D0.5530 (3)1.7168 (2)0.70757 (16)0.0134 (5)
C8D0.5439 (3)1.8319 (2)0.76104 (16)0.0126 (5)
H8D0.52631.89730.72210.015*
C9D0.5583 (3)1.8504 (2)0.85903 (16)0.0144 (5)
H9D0.56561.78420.89810.017*
C10D0.5639 (3)1.9691 (2)0.91175 (18)0.0132 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.01075 (16)0.00725 (17)0.01079 (15)0.00216 (13)0.00154 (12)0.00082 (12)
Co20.01008 (16)0.00718 (17)0.01093 (16)0.00204 (13)0.00145 (12)0.00005 (12)
O1A0.0102 (9)0.0127 (10)0.0334 (11)0.0025 (8)0.0010 (8)0.0052 (9)
O2A0.0155 (10)0.0143 (10)0.0131 (9)0.0046 (8)0.0030 (7)0.0030 (7)
O3A0.0183 (10)0.0171 (11)0.0121 (9)0.0017 (8)0.0029 (7)0.0011 (8)
O4A0.0114 (9)0.0139 (10)0.0224 (10)0.0041 (8)0.0034 (7)0.0081 (8)
O1B0.0182 (10)0.0111 (10)0.0142 (9)0.0045 (8)0.0055 (7)0.0004 (8)
O2B0.0147 (9)0.0151 (10)0.0114 (9)0.0039 (8)0.0020 (7)0.0012 (8)
O3B0.0111 (9)0.0114 (10)0.0206 (10)0.0013 (7)0.0038 (7)0.0030 (8)
O4B0.0096 (9)0.0112 (10)0.0320 (11)0.0014 (8)0.0026 (8)0.0062 (8)
O1C0.0159 (9)0.0224 (10)0.0237 (9)0.0017 (7)0.0014 (7)0.0117 (8)
O2C0.0186 (8)0.0224 (10)0.0180 (9)0.0108 (7)0.0008 (7)0.0049 (7)
O3C0.0181 (9)0.0160 (9)0.0137 (8)0.0009 (7)0.0021 (6)0.0040 (7)
O4C0.0176 (8)0.0121 (9)0.0165 (8)0.0052 (7)0.0032 (6)0.0015 (7)
O1D0.0191 (8)0.0145 (9)0.0112 (8)0.0025 (7)0.0012 (6)0.0015 (6)
O2D0.0195 (9)0.0139 (9)0.0148 (8)0.0044 (7)0.0024 (6)0.0004 (7)
O3D0.0189 (9)0.0118 (9)0.0163 (8)0.0046 (7)0.0025 (6)0.0005 (7)
O4D0.0242 (9)0.0211 (10)0.0119 (8)0.0018 (7)0.0020 (7)0.0008 (7)
O1W0.0181 (9)0.0534 (14)0.0172 (9)0.0033 (9)0.0043 (7)0.0126 (9)
O2W0.0159 (9)0.0262 (10)0.0152 (9)0.0042 (8)0.0022 (7)0.0004 (8)
O3W0.0168 (8)0.0208 (10)0.0144 (8)0.0019 (7)0.0028 (6)0.0008 (7)
O4W0.0244 (9)0.0176 (9)0.0129 (8)0.0010 (8)0.0001 (7)0.0030 (7)
N1A0.0088 (10)0.0098 (12)0.0135 (11)0.0021 (9)0.0008 (8)0.0009 (9)
N2A0.0103 (10)0.0084 (12)0.0138 (11)0.0026 (9)0.0015 (8)0.0015 (9)
N1B0.0112 (11)0.0089 (12)0.0126 (11)0.0007 (9)0.0025 (8)0.0017 (9)
N2B0.0121 (11)0.0104 (12)0.0132 (11)0.0017 (9)0.0038 (8)0.0011 (9)
C11A0.0201 (13)0.0132 (13)0.0154 (12)0.0042 (10)0.0054 (10)0.0040 (10)
C12A0.0192 (12)0.0124 (12)0.0155 (12)0.0042 (10)0.0041 (9)0.0019 (9)
C13A0.0082 (12)0.0099 (14)0.0163 (13)0.0003 (11)0.0040 (10)0.0037 (11)
C14A0.0163 (12)0.0111 (12)0.0139 (11)0.0020 (10)0.0027 (9)0.0037 (9)
C15A0.0139 (12)0.0113 (12)0.0141 (11)0.0027 (10)0.0024 (9)0.0015 (9)
C21A0.0175 (13)0.0109 (13)0.0107 (11)0.0019 (10)0.0040 (9)0.0002 (9)
C22A0.0151 (12)0.0103 (12)0.0142 (12)0.0012 (10)0.0012 (9)0.0018 (9)
C23A0.0102 (13)0.0103 (15)0.0128 (13)0.0038 (11)0.0012 (10)0.0029 (11)
C24A0.0215 (13)0.0108 (12)0.0126 (12)0.0027 (10)0.0021 (10)0.0016 (9)
C25A0.0214 (13)0.0095 (13)0.0142 (12)0.0034 (10)0.0001 (10)0.0026 (10)
C11B0.0225 (13)0.0105 (13)0.0123 (11)0.0054 (10)0.0002 (10)0.0027 (9)
C12B0.0219 (13)0.0135 (12)0.0125 (11)0.0060 (11)0.0005 (9)0.0033 (9)
C13B0.0110 (13)0.0063 (14)0.0158 (13)0.0015 (11)0.0037 (10)0.0024 (11)
C14B0.0205 (13)0.0099 (12)0.0140 (11)0.0006 (10)0.0024 (9)0.0024 (9)
C15B0.0211 (13)0.0089 (12)0.0139 (12)0.0014 (10)0.0026 (9)0.0028 (9)
C21B0.0168 (13)0.0112 (13)0.0158 (12)0.0003 (10)0.0052 (9)0.0017 (10)
C22B0.0192 (13)0.0118 (12)0.0183 (13)0.0042 (10)0.0045 (10)0.0023 (10)
C23B0.0103 (13)0.0088 (15)0.0121 (13)0.0026 (11)0.0028 (10)0.0005 (11)
C24B0.0132 (12)0.0091 (12)0.0150 (12)0.0002 (9)0.0022 (9)0.0019 (9)
C25B0.0157 (12)0.0145 (13)0.0152 (12)0.0046 (10)0.0007 (9)0.0023 (10)
C1C0.0159 (12)0.0106 (12)0.0136 (11)0.0003 (9)0.0059 (9)0.0027 (9)
C2C0.0098 (10)0.0108 (12)0.0139 (11)0.0029 (9)0.0007 (8)0.0019 (9)
C3C0.0198 (12)0.0149 (13)0.0152 (12)0.0021 (10)0.0041 (9)0.0037 (10)
C4C0.0232 (13)0.0119 (13)0.0197 (13)0.0051 (10)0.0015 (10)0.0013 (10)
C5C0.0182 (12)0.0142 (13)0.0202 (13)0.0068 (10)0.0000 (10)0.0052 (10)
C6C0.0149 (11)0.0205 (13)0.0139 (11)0.0048 (10)0.0036 (9)0.0013 (10)
C7C0.0108 (11)0.0117 (12)0.0147 (11)0.0036 (9)0.0017 (9)0.0011 (9)
C8C0.0130 (11)0.0127 (12)0.0174 (11)0.0031 (9)0.0048 (9)0.0008 (9)
C9C0.0170 (12)0.0122 (12)0.0160 (12)0.0032 (10)0.0021 (9)0.0013 (9)
C10C0.0080 (11)0.0133 (13)0.0165 (12)0.0008 (9)0.0012 (9)0.0028 (10)
C1D0.0119 (11)0.0138 (12)0.0138 (11)0.0071 (9)0.0058 (8)0.0031 (9)
C2D0.0121 (11)0.0085 (12)0.0142 (11)0.0015 (9)0.0006 (9)0.0027 (9)
C3D0.0230 (13)0.0165 (13)0.0145 (12)0.0051 (10)0.0019 (9)0.0010 (10)
C4D0.0285 (14)0.0074 (12)0.0230 (13)0.0039 (10)0.0030 (10)0.0007 (10)
C5D0.0292 (14)0.0122 (13)0.0244 (14)0.0010 (11)0.0039 (11)0.0058 (10)
C6D0.0239 (13)0.0147 (13)0.0173 (12)0.0021 (10)0.0065 (10)0.0014 (10)
C7D0.0133 (11)0.0137 (12)0.0137 (11)0.0044 (9)0.0008 (9)0.0021 (9)
C8D0.0138 (11)0.0108 (12)0.0143 (11)0.0025 (9)0.0045 (9)0.0024 (9)
C9D0.0176 (12)0.0102 (12)0.0166 (11)0.0036 (10)0.0043 (9)0.0031 (9)
C10D0.0106 (11)0.0140 (13)0.0160 (12)0.0021 (10)0.0057 (9)0.0002 (10)
Geometric parameters (Å, º) top
Co1—O4A2.0494 (18)C15A—H15A0.9500
Co1—O1A2.0499 (18)C21A—C22A1.379 (3)
Co1—O2A2.1073 (18)C21A—H21A0.9500
Co1—O3A2.1125 (18)C22A—C23A1.390 (4)
Co1—N2A2.163 (2)C22A—H22A0.9500
Co1—N1A2.181 (2)C23A—C24A1.397 (3)
Co2—O4B2.0435 (18)C23A—C13Aii1.483 (3)
Co2—O3B2.0676 (18)C24A—C25A1.373 (3)
Co2—O1B2.0764 (18)C24A—H24A0.9500
Co2—O2B2.1530 (18)C25A—H25A0.9500
Co2—N2B2.159 (2)C11B—C12B1.374 (3)
Co2—N1B2.169 (2)C11B—H11B0.9500
O1A—H1A10.834 (16)C12B—C13B1.398 (3)
O1A—H1A20.863 (16)C12B—H12B0.9500
O2A—H2A20.840 (16)C13B—C14B1.396 (4)
O2A—H2A10.835 (16)C13B—C23Bii1.478 (3)
O3A—H3A20.818 (16)C14B—C15B1.377 (3)
O3A—H3A10.830 (16)C14B—H14B0.9500
O4A—H4A20.837 (16)C15B—H15B0.9500
O4A—H4A10.836 (16)C21B—C22B1.374 (4)
O1B—H1B10.844 (15)C21B—H21B0.9500
O1B—H1B20.864 (16)C22B—C23B1.406 (3)
O2B—H2B20.820 (15)C22B—H22B0.9500
O2B—H2B10.867 (15)C23B—C24B1.388 (4)
O3B—H3B20.844 (16)C23B—C13Bi1.478 (3)
O3B—H3B10.843 (15)C24B—C25B1.378 (3)
O4B—H4B20.839 (16)C24B—H24B0.9500
O4B—H4B10.848 (16)C25B—H25B0.9500
O1C—C1C1.263 (3)C1C—C2C1.514 (3)
O2C—C1C1.246 (3)C2C—C3C1.391 (3)
O3C—C10C1.262 (3)C2C—C7C1.396 (3)
O4C—C10C1.270 (3)C3C—C4C1.391 (3)
O1D—C1D1.253 (3)C3C—H3C0.9500
O2D—C1D1.271 (3)C4C—C5C1.378 (3)
O3D—C10D1.273 (3)C4C—H4C0.9500
O4D—C10D1.255 (3)C5C—C6C1.385 (3)
O1W—H1W10.838 (17)C5C—H5C0.9500
O1W—H1W20.851 (16)C6C—C7C1.408 (3)
O2W—H2W20.835 (16)C6C—H6C0.9500
O2W—H2W10.861 (16)C7C—C8C1.473 (3)
O3W—H3W20.848 (16)C8C—C9C1.332 (3)
O3W—H3W10.830 (15)C8C—H8C0.9500
O4W—H4W20.850 (15)C9C—C10C1.487 (3)
O4W—H4W10.813 (16)C9C—H9C0.9500
N1A—C15A1.339 (3)C1D—C2D1.516 (3)
N1A—C11A1.341 (3)C2D—C3D1.395 (3)
N2A—C25A1.339 (3)C2D—C7D1.407 (3)
N2A—C21A1.342 (3)C3D—C4D1.383 (4)
N1B—C11B1.340 (3)C3D—H3D0.9500
N1B—C15B1.344 (3)C4D—C5D1.389 (3)
N2B—C25B1.343 (3)C4D—H4D0.9500
N2B—C21B1.346 (3)C5D—C6D1.392 (3)
C11A—C12A1.389 (3)C5D—H5D0.9500
C11A—H11A0.9500C6D—C7D1.401 (3)
C12A—C13A1.374 (4)C6D—H6D0.9500
C12A—H12A0.9500C7D—C8D1.485 (3)
C13A—C14A1.401 (3)C8D—C9D1.329 (3)
C13A—C23Ai1.483 (3)C8D—H8D0.9500
C14A—C15A1.385 (3)C9D—C10D1.496 (3)
C14A—H14A0.9500C9D—H9D0.9500
O4A—Co1—O1A177.74 (8)C25A—C24A—H24A120.4
O4A—Co1—O2A87.69 (8)C23A—C24A—H24A120.4
O1A—Co1—O2A92.97 (8)N2A—C25A—C24A124.1 (2)
O4A—Co1—O3A89.56 (8)N2A—C25A—H25A118.0
O1A—Co1—O3A89.89 (8)C24A—C25A—H25A118.0
O2A—Co1—O3A175.87 (8)N1B—C11B—C12B124.3 (2)
O4A—Co1—N2A92.34 (8)N1B—C11B—H11B117.8
O1A—Co1—N2A89.82 (8)C12B—C11B—H11B117.8
O2A—Co1—N2A90.14 (8)C11B—C12B—C13B119.7 (2)
O3A—Co1—N2A86.90 (8)C11B—C12B—H12B120.1
O4A—Co1—N1A89.22 (8)C13B—C12B—H12B120.1
O1A—Co1—N1A88.61 (8)C14B—C13B—C12B116.1 (2)
O2A—Co1—N1A91.09 (8)C14B—C13B—C23Bii121.8 (2)
O3A—Co1—N1A91.95 (8)C12B—C13B—C23Bii122.0 (2)
N2A—Co1—N1A178.05 (9)C15B—C14B—C13B120.1 (2)
O4B—Co2—O3B175.58 (9)C15B—C14B—H14B120.0
O4B—Co2—O1B92.84 (8)C13B—C14B—H14B120.0
O3B—Co2—O1B91.26 (8)N1B—C15B—C14B123.8 (2)
O4B—Co2—O2B89.58 (8)N1B—C15B—H15B118.1
O3B—Co2—O2B86.22 (8)C14B—C15B—H15B118.1
O1B—Co2—O2B175.62 (8)N2B—C21B—C22B124.1 (2)
O4B—Co2—N2B91.93 (8)N2B—C21B—H21B118.0
O3B—Co2—N2B86.48 (8)C22B—C21B—H21B118.0
O1B—Co2—N2B89.07 (8)C21B—C22B—C23B119.4 (2)
O2B—Co2—N2B87.21 (8)C21B—C22B—H22B120.3
O4B—Co2—N1B88.24 (8)C23B—C22B—H22B120.3
O3B—Co2—N1B93.28 (8)C24B—C23B—C22B116.5 (2)
O1B—Co2—N1B92.01 (8)C24B—C23B—C13Bi122.4 (2)
O2B—Co2—N1B91.70 (8)C22B—C23B—C13Bi121.1 (2)
N2B—Co2—N1B178.90 (9)C25B—C24B—C23B120.1 (2)
Co1—O1A—H1A1124.9 (18)C25B—C24B—H24B119.9
Co1—O1A—H1A2123.5 (17)C23B—C24B—H24B119.9
H1A1—O1A—H1A2107 (2)N2B—C25B—C24B123.7 (2)
Co1—O2A—H2A2119.0 (17)N2B—C25B—H25B118.1
Co1—O2A—H2A1110.0 (17)C24B—C25B—H25B118.2
H2A2—O2A—H2A1111 (2)O2C—C1C—O1C126.6 (2)
Co1—O3A—H3A2130.1 (18)O2C—C1C—C2C115.36 (19)
Co1—O3A—H3A1115.9 (18)O1C—C1C—C2C118.0 (2)
H3A2—O3A—H3A1112 (2)C3C—C2C—C7C120.5 (2)
Co1—O4A—H4A2121.5 (18)C3C—C2C—C1C119.2 (2)
Co1—O4A—H4A1121.6 (17)C7C—C2C—C1C120.0 (2)
H4A2—O4A—H4A1110 (2)C4C—C3C—C2C120.0 (2)
Co2—O1B—H1B1104.2 (17)C4C—C3C—H3C120.0
Co2—O1B—H1B2113.4 (17)C2C—C3C—H3C120.0
H1B1—O1B—H1B2102.4 (19)C5C—C4C—C3C120.1 (2)
Co2—O2B—H2B2115.3 (18)C5C—C4C—H4C120.0
Co2—O2B—H2B1119.3 (17)C3C—C4C—H4C120.0
H2B2—O2B—H2B1107.9 (19)C4C—C5C—C6C120.2 (2)
Co2—O3B—H3B2123.5 (18)C4C—C5C—H5C119.9
Co2—O3B—H3B1110.5 (17)C6C—C5C—H5C119.9
H3B2—O3B—H3B1107 (2)C5C—C6C—C7C120.7 (2)
Co2—O4B—H4B2123.0 (18)C5C—C6C—H6C119.7
Co2—O4B—H4B1128.2 (16)C7C—C6C—H6C119.7
H4B2—O4B—H4B1105 (2)C2C—C7C—C6C118.4 (2)
H1W1—O1W—H1W2105 (2)C2C—C7C—C8C119.42 (19)
H2W2—O2W—H2W1104 (2)C6C—C7C—C8C122.1 (2)
H3W2—O3W—H3W1106 (2)C9C—C8C—C7C126.3 (2)
H4W2—O4W—H4W1108 (2)C9C—C8C—H8C116.8
C15A—N1A—C11A116.8 (2)C7C—C8C—H8C116.8
C15A—N1A—Co1124.65 (16)C8C—C9C—C10C123.4 (2)
C11A—N1A—Co1118.45 (17)C8C—C9C—H9C118.3
C25A—N2A—C21A116.6 (2)C10C—C9C—H9C118.3
C25A—N2A—Co1122.82 (16)O3C—C10C—O4C123.5 (2)
C21A—N2A—Co1120.35 (18)O3C—C10C—C9C116.7 (2)
C11B—N1B—C15B115.9 (2)O4C—C10C—C9C119.8 (2)
C11B—N1B—Co2120.97 (17)O1D—C1D—O2D125.2 (2)
C15B—N1B—Co2122.91 (18)O1D—C1D—C2D117.1 (2)
C25B—N2B—C21B116.1 (2)O2D—C1D—C2D117.73 (19)
C25B—N2B—Co2123.98 (19)C3D—C2D—C7D119.8 (2)
C21B—N2B—Co2119.39 (17)C3D—C2D—C1D117.4 (2)
N1A—C11A—C12A123.1 (2)C7D—C2D—C1D122.9 (2)
N1A—C11A—H11A118.4C4D—C3D—C2D121.3 (2)
C12A—C11A—H11A118.4C4D—C3D—H3D119.3
C13A—C12A—C11A120.0 (2)C2D—C3D—H3D119.3
C13A—C12A—H12A120.0C3D—C4D—C5D119.5 (2)
C11A—C12A—H12A120.0C3D—C4D—H4D120.2
C12A—C13A—C14A117.5 (2)C5D—C4D—H4D120.2
C12A—C13A—C23Ai121.7 (2)C4D—C5D—C6D119.6 (2)
C14A—C13A—C23Ai120.8 (2)C4D—C5D—H5D120.2
C15A—C14A—C13A118.8 (2)C6D—C5D—H5D120.2
C15A—C14A—H14A120.6C5D—C6D—C7D121.6 (2)
C13A—C14A—H14A120.6C5D—C6D—H6D119.2
N1A—C15A—C14A123.8 (2)C7D—C6D—H6D119.2
N1A—C15A—H15A118.1C6D—C7D—C2D118.0 (2)
C14A—C15A—H15A118.1C6D—C7D—C8D120.5 (2)
N2A—C21A—C22A123.2 (2)C2D—C7D—C8D121.5 (2)
N2A—C21A—H21A118.4C9D—C8D—C7D125.1 (2)
C22A—C21A—H21A118.4C9D—C8D—H8D117.4
C21A—C22A—C23A119.8 (2)C7D—C8D—H8D117.4
C21A—C22A—H22A120.1C8D—C9D—C10D124.1 (2)
C23A—C22A—H22A120.1C8D—C9D—H9D117.9
C22A—C23A—C24A117.0 (2)C10D—C9D—H9D117.9
C22A—C23A—C13Aii121.7 (2)O4D—C10D—O3D124.4 (2)
C24A—C23A—C13Aii121.3 (2)O4D—C10D—C9D116.8 (2)
C25A—C24A—C23A119.2 (2)O3D—C10D—C9D118.8 (2)
O4A—Co1—N1A—C15A103.7 (2)C11B—C12B—C13B—C23Bii177.0 (2)
O1A—Co1—N1A—C15A77.0 (2)C12B—C13B—C14B—C15B0.0 (3)
O2A—Co1—N1A—C15A16.0 (2)C23Bii—C13B—C14B—C15B179.1 (2)
O3A—Co1—N1A—C15A166.80 (19)C11B—N1B—C15B—C14B2.4 (3)
O4A—Co1—N1A—C11A71.84 (19)Co2—N1B—C15B—C14B171.74 (18)
O1A—Co1—N1A—C11A107.53 (19)C13B—C14B—C15B—N1B2.4 (4)
O2A—Co1—N1A—C11A159.52 (18)C25B—N2B—C21B—C22B0.5 (4)
O3A—Co1—N1A—C11A17.69 (18)Co2—N2B—C21B—C22B171.83 (19)
O4A—Co1—N2A—C25A111.1 (2)N2B—C21B—C22B—C23B0.3 (4)
O1A—Co1—N2A—C25A68.2 (2)C21B—C22B—C23B—C24B0.7 (4)
O2A—Co1—N2A—C25A161.2 (2)C21B—C22B—C23B—C13Bi179.7 (2)
O3A—Co1—N2A—C25A21.7 (2)C22B—C23B—C24B—C25B0.4 (4)
O4A—Co1—N2A—C21A74.11 (19)C13Bi—C23B—C24B—C25B180.0 (2)
O1A—Co1—N2A—C21A106.56 (19)C21B—N2B—C25B—C24B0.9 (4)
O2A—Co1—N2A—C21A13.58 (19)Co2—N2B—C25B—C24B171.03 (18)
O3A—Co1—N2A—C21A163.54 (19)C23B—C24B—C25B—N2B0.5 (4)
O4B—Co2—N1B—C11B66.34 (19)O2C—C1C—C2C—C3C96.7 (3)
O3B—Co2—N1B—C11B117.82 (19)O1C—C1C—C2C—C3C83.9 (3)
O1B—Co2—N1B—C11B26.44 (19)O2C—C1C—C2C—C7C77.3 (3)
O2B—Co2—N1B—C11B155.87 (19)O1C—C1C—C2C—C7C102.1 (3)
O4B—Co2—N1B—C15B107.53 (19)C7C—C2C—C3C—C4C1.1 (3)
O3B—Co2—N1B—C15B68.31 (19)C1C—C2C—C3C—C4C175.0 (2)
O1B—Co2—N1B—C15B159.69 (19)C2C—C3C—C4C—C5C1.5 (4)
O2B—Co2—N1B—C15B18.00 (19)C3C—C4C—C5C—C6C2.2 (4)
O4B—Co2—N2B—C25B52.79 (19)C4C—C5C—C6C—C7C0.4 (4)
O3B—Co2—N2B—C25B131.34 (19)C3C—C2C—C7C—C6C2.8 (3)
O1B—Co2—N2B—C25B40.02 (19)C1C—C2C—C7C—C6C176.7 (2)
O2B—Co2—N2B—C25B142.28 (19)C3C—C2C—C7C—C8C174.9 (2)
O4B—Co2—N2B—C21B135.51 (19)C1C—C2C—C7C—C8C1.0 (3)
O3B—Co2—N2B—C21B40.36 (18)C5C—C6C—C7C—C2C2.1 (3)
O1B—Co2—N2B—C21B131.68 (19)C5C—C6C—C7C—C8C175.5 (2)
O2B—Co2—N2B—C21B46.02 (18)C2C—C7C—C8C—C9C158.5 (2)
C15A—N1A—C11A—C12A0.3 (3)C6C—C7C—C8C—C9C19.1 (4)
Co1—N1A—C11A—C12A176.12 (18)C7C—C8C—C9C—C10C178.3 (2)
N1A—C11A—C12A—C13A1.7 (4)C8C—C9C—C10C—O3C165.7 (2)
C11A—C12A—C13A—C14A1.3 (4)C8C—C9C—C10C—O4C12.7 (3)
C11A—C12A—C13A—C23Ai177.9 (2)O1D—C1D—C2D—C3D45.8 (3)
C12A—C13A—C14A—C15A0.4 (3)O2D—C1D—C2D—C3D134.0 (2)
C23Ai—C13A—C14A—C15A179.5 (2)O1D—C1D—C2D—C7D134.9 (2)
C11A—N1A—C15A—C14A1.5 (3)O2D—C1D—C2D—C7D45.3 (3)
Co1—N1A—C15A—C14A174.05 (18)C7D—C2D—C3D—C4D0.2 (4)
C13A—C14A—C15A—N1A1.9 (4)C1D—C2D—C3D—C4D179.1 (2)
C25A—N2A—C21A—C22A1.1 (4)C2D—C3D—C4D—C5D2.4 (4)
Co1—N2A—C21A—C22A174.02 (18)C3D—C4D—C5D—C6D2.2 (4)
N2A—C21A—C22A—C23A2.2 (4)C4D—C5D—C6D—C7D0.1 (4)
C21A—C22A—C23A—C24A1.3 (4)C5D—C6D—C7D—C2D2.2 (4)
C21A—C22A—C23A—C13Aii179.7 (2)C5D—C6D—C7D—C8D178.4 (2)
C22A—C23A—C24A—C25A0.5 (4)C3D—C2D—C7D—C6D2.0 (3)
C13Aii—C23A—C24A—C25A178.4 (2)C1D—C2D—C7D—C6D178.8 (2)
C21A—N2A—C25A—C24A0.9 (4)C3D—C2D—C7D—C8D178.6 (2)
Co1—N2A—C25A—C24A175.88 (18)C1D—C2D—C7D—C8D0.6 (3)
C23A—C24A—C25A—N2A1.7 (4)C6D—C7D—C8D—C9D27.9 (4)
C15B—N1B—C11B—C12B0.2 (4)C2D—C7D—C8D—C9D152.8 (2)
Co2—N1B—C11B—C12B174.12 (19)C7D—C8D—C9D—C10D174.9 (2)
N1B—C11B—C12B—C13B2.1 (4)C8D—C9D—C10D—O4D170.6 (2)
C11B—C12B—C13B—C14B2.1 (3)C8D—C9D—C10D—O3D7.6 (3)
Symmetry codes: (i) x, y+1, z; (ii) x, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1A—H1A1···O1D0.83 (2)1.92 (2)2.750 (3)170 (3)
O1A—H1A2···O3Ciii0.86 (2)1.86 (2)2.711 (3)169 (3)
O2A—H2A2···O1W0.84 (2)1.83 (2)2.663 (3)175 (3)
O2A—H2A1···O3Wiv0.84 (2)1.96 (2)2.782 (3)171 (2)
O3A—H3A2···O2W0.82 (2)1.93 (2)2.726 (3)166 (3)
O3A—H3A1···O2Dv0.83 (2)1.91 (2)2.734 (3)174 (3)
O4A—H4A2···O4Civ0.84 (2)1.92 (2)2.738 (3)166 (2)
O4A—H4A1···O1Dv0.84 (2)1.90 (2)2.735 (3)178 (2)
O1B—H1B1···O2C0.84 (2)1.75 (2)2.582 (2)170 (2)
O1B—H1B2···O3W0.86 (2)1.92 (2)2.774 (3)171 (2)
O2B—H2B2···O4W0.82 (2)2.01 (2)2.825 (3)179 (3)
O2B—H2B1···O2W0.87 (2)2.00 (2)2.842 (3)165 (3)
O3B—H3B2···O3Dv0.84 (2)1.95 (2)2.791 (3)171 (2)
O3B—H3B1···O1C0.84 (2)1.83 (2)2.673 (2)173 (3)
O4B—H4B2···O3D0.84 (2)1.92 (2)2.732 (2)162 (3)
O4B—H4B1···O1Cvi0.85 (2)1.88 (2)2.706 (3)163 (2)
O1W—H1W1···O4Ciii0.84 (2)1.93 (2)2.754 (3)169 (3)
O1W—H1W2···O4Div0.85 (2)1.99 (2)2.825 (2)167 (3)
O2W—H2W2···O4Wvi0.84 (2)2.19 (2)2.968 (3)156 (3)
O2W—H2W1···O3D0.86 (2)1.85 (2)2.692 (2)168 (3)
O3W—H3W2···O4Dv0.85 (2)1.88 (2)2.731 (2)178 (3)
O3W—H3W1···O4C0.83 (2)2.00 (2)2.813 (2)165 (3)
O4W—H4W2···O2Dv0.85 (2)1.95 (2)2.775 (2)163 (3)
O4W—H4W1···O3Civ0.81 (2)1.95 (2)2.730 (2)162 (3)
Symmetry codes: (iii) x+1, y, z1; (iv) x, y, z1; (v) x1, y, z; (vi) x+1, y, z.
 

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