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In the coordination polymer catena-poly[[[di­aqua­[5-carb­oxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxyl­ato-κ2N3,O4]lead(II)]-μ-5-carb­oxy-2-(pyridin-3-yl)-1H-imidazole-4-car­boxyl­ato-κ3N3,O4:N2] dihydrate], {[Pb(C10H6N3O4)(H2O)2]·2H2O}n, the two 5-carb­oxy-2-(pyridin-3-yl)-1H-imid­azole-4-car­boxyl­ate ligands have different coordination modes, one being terminal and the other bridging. The bridging ligand links PbII cations into one-dimensional coordination polymer chains. The structure is also stabilized by intra- and interchain π–π stacking inter­actions between the pyridine rings, resulting in the formation of a two-dimensional network. Extensive hydrogen-bonding inter­actions lead to the formation of a three-dimensional supra­molecular network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229614006883/wq3057sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229614006883/wq3057Isup2.hkl
Contains datablock I

cdx

Chemdraw file https://doi.org/10.1107/S2053229614006883/wq3057Isup3.cdx
Supplementary material

CCDC reference: 994109

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: APEX2 (Bruker, 2004); data reduction: APEX2 (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: PLATON (Spek, 2009).

catena-Poly[[[diaqua[5-carboxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxylato-κ2N3,O4]lead(II)]-µ-5-carboxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxylato-κ3N3,O4:N2] dihydrate] top
Crystal data top
[Pb(C10H6N3O4)(H2O)2]·2H2OF(000) = 1440
Mr = 743.61Dx = 2.098 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4388 reflections
a = 7.1384 (19) Åθ = 1.6–25.5°
b = 18.424 (5) ŵ = 7.25 mm1
c = 17.907 (5) ÅT = 296 K
β = 90.984 (3)°Block, colourless
V = 2354.7 (11) Å30.20 × 0.13 × 0.12 mm
Z = 4
Data collection top
Bruker APEXII CCD area-detector
diffractometer
4388 independent reflections
Radiation source: fine-focus sealed tube3354 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
φ and ω scansθmax = 25.5°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 88
Tmin = 0.336, Tmax = 0.419k = 2122
12273 measured reflectionsl = 1621
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.074H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.026P)2]
where P = (Fo2 + 2Fc2)/3
4388 reflections(Δ/σ)max = 0.001
352 parametersΔρmax = 0.69 e Å3
0 restraintsΔρmin = 0.76 e Å3
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
C10.1116 (8)0.2065 (3)0.7557 (3)0.0370 (15)
H10.14900.17390.79220.044*
C20.1344 (8)0.1868 (3)0.6830 (3)0.0362 (15)
H20.18410.14180.67000.043*
C30.0816 (8)0.2357 (3)0.6290 (3)0.0331 (14)
H30.10030.22460.57870.040*
C40.0007 (7)0.3013 (3)0.6492 (3)0.0257 (13)
C50.0148 (8)0.3162 (3)0.7248 (3)0.0330 (14)
H50.06500.36060.73950.040*
C60.0665 (7)0.3512 (3)0.5926 (3)0.0276 (13)
C70.1822 (7)0.4492 (3)0.5405 (3)0.0307 (13)
C80.1608 (7)0.3948 (3)0.4885 (3)0.0277 (13)
C90.2551 (9)0.5245 (4)0.5371 (4)0.0436 (16)
C100.1992 (8)0.3951 (3)0.4072 (3)0.0323 (14)
C110.4941 (8)0.3120 (4)0.7001 (4)0.0448 (17)
H110.53040.35370.72580.054*
C120.5061 (8)0.3113 (3)0.6237 (4)0.0407 (16)
H120.54850.35200.59830.049*
C130.4545 (8)0.2496 (4)0.5851 (3)0.0358 (14)
H130.46360.24760.53340.043*
C140.3883 (7)0.1901 (3)0.6252 (3)0.0301 (13)
C150.3789 (7)0.1961 (3)0.7018 (3)0.0312 (13)
H150.33300.15680.72850.037*
C160.3317 (7)0.1245 (3)0.5848 (3)0.0280 (13)
C170.2367 (7)0.0534 (3)0.4959 (3)0.0301 (13)
C180.2985 (8)0.0096 (3)0.5548 (3)0.0304 (13)
C190.3181 (9)0.0700 (3)0.5648 (4)0.0425 (16)
C200.1596 (8)0.0329 (4)0.4217 (3)0.0360 (14)
N10.0390 (7)0.2696 (2)0.7780 (3)0.0345 (12)
N20.1197 (6)0.4209 (2)0.6059 (3)0.0316 (11)
H2N0.12360.43970.64800.038*
N30.0905 (6)0.3341 (2)0.5216 (2)0.0284 (11)
N40.4320 (7)0.2549 (3)0.7396 (3)0.0390 (13)
N50.2556 (6)0.1259 (2)0.5162 (3)0.0316 (11)
N60.3585 (6)0.0560 (3)0.6093 (3)0.0340 (12)
H6N0.40460.04370.65220.041*
O10.2592 (7)0.5621 (2)0.5944 (3)0.0561 (13)
O20.3101 (6)0.5489 (2)0.4732 (3)0.0538 (12)
H2O0.29380.51770.44100.081*
O30.1665 (6)0.3398 (2)0.3699 (2)0.0455 (11)
O40.2593 (6)0.4542 (2)0.3774 (2)0.0501 (12)
O50.2567 (6)0.1103 (2)0.5102 (3)0.0538 (12)
H5O0.22120.08640.47310.081*
O60.3889 (7)0.0936 (2)0.6220 (3)0.0652 (14)
O70.1055 (6)0.0812 (2)0.3783 (2)0.0426 (11)
O80.1547 (6)0.0346 (2)0.4057 (2)0.0484 (11)
O1W0.3894 (6)0.2166 (2)0.3841 (2)0.0434 (11)
H1W0.38940.22530.33270.065*
H2W0.43710.17690.39480.065*
O2W0.2769 (6)0.2889 (2)0.4319 (3)0.0536 (12)
H3W0.34760.27670.39940.080*
H4W0.26140.33260.42780.080*
O3W0.9418 (7)0.4977 (3)0.2633 (2)0.0673 (15)
H5W0.96150.51540.22370.101*
H6W1.02740.47370.27520.101*
O4W0.5229 (7)0.4664 (3)0.2536 (2)0.0877 (19)
H7W0.46560.50060.27540.105*
H8W0.63440.47710.24940.132*
Pb10.05323 (3)0.219656 (12)0.419947 (12)0.03447 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.052 (4)0.031 (4)0.028 (4)0.007 (3)0.001 (3)0.003 (3)
C20.048 (4)0.025 (3)0.036 (4)0.007 (3)0.004 (3)0.007 (3)
C30.038 (3)0.037 (4)0.024 (3)0.006 (3)0.003 (3)0.007 (3)
C40.027 (3)0.022 (3)0.028 (3)0.005 (2)0.003 (2)0.001 (2)
C50.047 (4)0.026 (3)0.025 (3)0.010 (3)0.006 (3)0.004 (3)
C60.035 (3)0.026 (3)0.021 (3)0.005 (3)0.003 (2)0.004 (3)
C70.032 (3)0.026 (3)0.033 (4)0.005 (3)0.002 (3)0.008 (3)
C80.029 (3)0.026 (3)0.028 (3)0.001 (2)0.000 (2)0.003 (3)
C90.045 (4)0.040 (4)0.046 (5)0.001 (3)0.001 (3)0.005 (4)
C100.042 (3)0.027 (3)0.029 (4)0.005 (3)0.005 (3)0.000 (3)
C110.039 (4)0.042 (4)0.054 (5)0.006 (3)0.002 (3)0.019 (4)
C120.038 (4)0.030 (3)0.054 (5)0.004 (3)0.000 (3)0.008 (3)
C130.035 (3)0.043 (3)0.029 (4)0.001 (3)0.004 (3)0.005 (3)
C140.029 (3)0.035 (3)0.027 (3)0.001 (3)0.000 (2)0.003 (3)
C150.038 (3)0.033 (3)0.023 (3)0.000 (3)0.000 (3)0.005 (3)
C160.033 (3)0.032 (3)0.020 (3)0.005 (3)0.003 (2)0.002 (3)
C170.030 (3)0.035 (4)0.024 (3)0.003 (3)0.002 (2)0.002 (3)
C180.037 (3)0.030 (3)0.025 (3)0.002 (3)0.007 (3)0.000 (3)
C190.052 (4)0.033 (4)0.043 (4)0.011 (3)0.013 (3)0.006 (3)
C200.033 (3)0.043 (4)0.032 (4)0.003 (3)0.001 (3)0.007 (3)
N10.048 (3)0.030 (3)0.026 (3)0.006 (2)0.003 (2)0.002 (2)
N20.045 (3)0.032 (3)0.018 (3)0.001 (2)0.006 (2)0.001 (2)
N30.038 (3)0.025 (3)0.022 (3)0.003 (2)0.002 (2)0.005 (2)
N40.043 (3)0.042 (3)0.033 (3)0.001 (2)0.001 (2)0.009 (3)
N50.037 (3)0.026 (3)0.032 (3)0.002 (2)0.004 (2)0.000 (2)
N60.036 (3)0.039 (3)0.026 (3)0.004 (2)0.006 (2)0.005 (2)
O10.084 (4)0.036 (3)0.048 (3)0.012 (2)0.005 (3)0.002 (2)
O20.071 (3)0.041 (3)0.050 (3)0.015 (2)0.006 (2)0.012 (2)
O30.075 (3)0.035 (3)0.027 (2)0.003 (2)0.009 (2)0.000 (2)
O40.078 (3)0.037 (3)0.036 (3)0.003 (2)0.012 (2)0.013 (2)
O50.075 (3)0.030 (3)0.057 (3)0.006 (2)0.006 (3)0.006 (2)
O60.099 (4)0.040 (3)0.057 (4)0.021 (3)0.009 (3)0.016 (3)
O70.062 (3)0.039 (3)0.027 (3)0.005 (2)0.008 (2)0.005 (2)
O80.067 (3)0.034 (3)0.045 (3)0.004 (2)0.004 (2)0.016 (2)
O1W0.056 (3)0.042 (3)0.032 (3)0.001 (2)0.005 (2)0.013 (2)
O2W0.056 (3)0.044 (3)0.060 (3)0.004 (2)0.001 (2)0.004 (2)
O3W0.114 (4)0.056 (3)0.032 (3)0.016 (3)0.001 (3)0.010 (2)
O4W0.105 (5)0.118 (5)0.039 (3)0.030 (4)0.016 (3)0.002 (3)
Pb10.05346 (16)0.02900 (14)0.02090 (14)0.00264 (12)0.00092 (9)0.00012 (11)
Geometric parameters (Å, º) top
C1—N11.332 (7)C15—H150.9300
C1—C21.360 (8)C16—N51.336 (7)
C1—H10.9300C16—N61.348 (7)
C2—C31.379 (8)C17—N51.390 (7)
C2—H20.9300C17—C181.393 (8)
C3—C41.385 (7)C17—C201.479 (8)
C3—H30.9300C18—N61.362 (7)
C4—C51.384 (7)C18—C191.483 (8)
C4—C61.455 (7)C19—O61.214 (8)
C5—N11.343 (7)C19—O51.298 (8)
C5—H50.9300C20—O71.238 (7)
C6—N31.325 (6)C20—O81.276 (7)
C6—N21.358 (7)N1—Pb1i2.622 (5)
C7—N21.364 (6)N2—H2N0.8292
C7—C81.375 (8)N3—Pb12.796 (4)
C7—C91.484 (8)N5—Pb12.820 (5)
C8—N31.365 (6)N6—H6N0.8601
C8—C101.486 (7)O2—H2O0.8201
C9—O11.237 (7)O3—Pb12.526 (4)
C9—O21.296 (7)O5—H5O0.8336
C10—O31.238 (7)O7—Pb12.686 (4)
C10—O41.288 (6)O1W—Pb12.495 (4)
C11—N41.347 (8)O1W—H1W0.9343
C11—C121.372 (8)O1W—H2W0.8276
C11—H110.9300O2W—Pb12.692 (4)
C12—C131.377 (9)O2W—H3W0.7972
C12—H120.9300O2W—H4W0.8164
C13—C141.397 (8)O3W—H5W0.7965
C13—H130.9300O3W—H6W0.7801
C14—C151.381 (7)O4W—H7W0.8500
C14—C161.461 (8)O4W—H8W0.8241
C15—N41.329 (7)Pb1—N1ii2.622 (5)
N1—C1—C2124.0 (6)O6—C19—C18119.6 (6)
N1—C1—H1118.0O5—C19—C18116.4 (6)
C2—C1—H1118.0O7—C20—O8123.5 (6)
C1—C2—C3117.9 (5)O7—C20—C17119.2 (6)
C1—C2—H2121.0O8—C20—C17117.3 (6)
C3—C2—H2121.0C1—N1—C5117.4 (5)
C2—C3—C4120.3 (5)C1—N1—Pb1i116.5 (4)
C2—C3—H3119.8C5—N1—Pb1i124.7 (4)
C4—C3—H3119.8C6—N2—C7107.8 (5)
C5—C4—C3117.0 (5)C6—N2—H2N124.0
C5—C4—C6122.3 (5)C7—N2—H2N127.8
C3—C4—C6120.6 (5)C6—N3—C8106.1 (5)
N1—C5—C4123.3 (5)C6—N3—Pb1142.3 (4)
N1—C5—H5118.3C8—N3—Pb1111.5 (3)
C4—C5—H5118.3C15—N4—C11117.6 (5)
N3—C6—N2110.6 (5)C16—N5—C17104.9 (5)
N3—C6—C4124.7 (5)C16—N5—Pb1140.4 (4)
N2—C6—C4124.7 (5)C17—N5—Pb1112.5 (3)
N2—C7—C8105.6 (5)C16—N6—C18108.3 (5)
N2—C7—C9120.9 (6)C16—N6—H6N125.9
C8—C7—C9133.5 (6)C18—N6—H6N125.8
N3—C8—C7109.9 (5)C9—O2—H2O109.7
N3—C8—C10120.2 (5)C10—O3—Pb1126.1 (4)
C7—C8—C10129.9 (5)C19—O5—H5O113.1
O1—C9—O2122.4 (6)C20—O7—Pb1123.5 (4)
O1—C9—C7119.5 (6)Pb1—O1W—H1W105.4
O2—C9—C7118.1 (6)Pb1—O1W—H2W110.8
O3—C10—O4122.2 (5)H1W—O1W—H2W111.9
O3—C10—C8119.3 (5)Pb1—O2W—H3W110.6
O4—C10—C8118.4 (5)Pb1—O2W—H4W109.9
N4—C11—C12122.8 (6)H3W—O2W—H4W107.3
N4—C11—H11118.6H5W—O3W—H6W109.0
C12—C11—H11118.6H7W—O4W—H8W109.8
C11—C12—C13119.2 (6)O1W—Pb1—O367.27 (13)
C11—C12—H12120.4O1W—Pb1—N1ii88.81 (14)
C13—C12—H12120.4O3—Pb1—N1ii70.53 (14)
C12—C13—C14118.7 (6)O1W—Pb1—O776.59 (13)
C12—C13—H13120.7O3—Pb1—O7133.39 (13)
C14—C13—H13120.7N1ii—Pb1—O780.58 (13)
C15—C14—C13118.1 (5)O1W—Pb1—O2W151.47 (12)
C15—C14—C16122.7 (5)O3—Pb1—O2W84.21 (13)
C13—C14—C16119.3 (5)N1ii—Pb1—O2W80.57 (14)
N4—C15—C14123.6 (6)O7—Pb1—O2W126.77 (13)
N4—C15—H15118.2O1W—Pb1—N395.92 (13)
C14—C15—H15118.2O3—Pb1—N362.76 (13)
N5—C16—N6111.7 (5)N1ii—Pb1—N3126.42 (13)
N5—C16—C14122.9 (5)O7—Pb1—N3152.28 (12)
N6—C16—C14125.3 (5)O2W—Pb1—N370.37 (13)
N5—C17—C18109.4 (5)O1W—Pb1—N570.02 (13)
N5—C17—C20120.8 (5)O3—Pb1—N5126.13 (14)
C18—C17—C20129.8 (6)N1ii—Pb1—N5139.11 (14)
N6—C18—C17105.6 (5)O7—Pb1—N561.04 (13)
N6—C18—C19120.4 (5)O2W—Pb1—N5132.95 (13)
C17—C18—C19133.9 (6)N3—Pb1—N591.27 (13)
O6—C19—O5124.0 (6)
N1—C1—C2—C31.0 (9)C10—C8—N3—C6178.2 (5)
C1—C2—C3—C42.7 (8)C7—C8—N3—Pb1178.3 (3)
C2—C3—C4—C53.1 (8)C10—C8—N3—Pb12.7 (6)
C2—C3—C4—C6176.0 (5)C14—C15—N4—C111.5 (8)
C3—C4—C5—N12.0 (8)C12—C11—N4—C150.7 (9)
C6—C4—C5—N1177.1 (5)N6—C16—N5—C171.1 (6)
C5—C4—C6—N3165.5 (5)C14—C16—N5—C17175.3 (5)
C3—C4—C6—N313.6 (8)N6—C16—N5—Pb1159.5 (4)
C5—C4—C6—N211.9 (8)C14—C16—N5—Pb124.1 (9)
C3—C4—C6—N2169.0 (5)C18—C17—N5—C161.6 (6)
N2—C7—C8—N31.2 (6)C20—C17—N5—C16178.8 (5)
C9—C7—C8—N3178.3 (6)C18—C17—N5—Pb1165.1 (3)
N2—C7—C8—C10177.7 (5)C20—C17—N5—Pb114.5 (6)
C9—C7—C8—C102.8 (11)N5—C16—N6—C180.2 (6)
N2—C7—C9—O10.0 (9)C14—C16—N6—C18176.1 (5)
C8—C7—C9—O1179.4 (6)C17—C18—N6—C160.8 (6)
N2—C7—C9—O2179.1 (5)C19—C18—N6—C16177.4 (5)
C8—C7—C9—O21.5 (10)O4—C10—O3—Pb1179.0 (4)
N3—C8—C10—O30.1 (8)C8—C10—O3—Pb13.5 (7)
C7—C8—C10—O3178.7 (6)O8—C20—O7—Pb1167.8 (4)
N3—C8—C10—O4177.6 (5)C17—C20—O7—Pb113.0 (7)
C7—C8—C10—O41.2 (9)C10—O3—Pb1—O1W106.5 (5)
N4—C11—C12—C130.6 (9)C10—O3—Pb1—N1ii156.4 (5)
C11—C12—C13—C141.1 (9)C10—O3—Pb1—O7148.6 (4)
C12—C13—C14—C150.4 (8)C10—O3—Pb1—O2W74.4 (5)
C12—C13—C14—C16179.5 (5)C10—O3—Pb1—N33.5 (4)
C13—C14—C15—N41.0 (8)C10—O3—Pb1—N566.3 (5)
C16—C14—C15—N4179.1 (5)C20—O7—Pb1—O1W88.7 (5)
C15—C14—C16—N5147.3 (5)C20—O7—Pb1—O3128.2 (4)
C13—C14—C16—N532.6 (8)C20—O7—Pb1—N1ii179.7 (5)
C15—C14—C16—N636.7 (8)C20—O7—Pb1—O2W109.6 (5)
C13—C14—C16—N6143.4 (6)C20—O7—Pb1—N311.8 (6)
N5—C17—C18—N61.5 (6)C20—O7—Pb1—N514.3 (4)
C20—C17—C18—N6178.9 (5)C6—N3—Pb1—O1W120.9 (6)
N5—C17—C18—C19177.5 (6)C8—N3—Pb1—O1W57.8 (3)
C20—C17—C18—C193.0 (11)C6—N3—Pb1—O3178.5 (6)
N6—C18—C19—O60.3 (9)C8—N3—Pb1—O32.8 (3)
C17—C18—C19—O6175.2 (6)C6—N3—Pb1—N1ii146.2 (5)
N6—C18—C19—O5179.8 (5)C8—N3—Pb1—N1ii35.1 (4)
C17—C18—C19—O54.7 (10)C6—N3—Pb1—O748.6 (7)
N5—C17—C20—O72.5 (8)C8—N3—Pb1—O7130.1 (4)
C18—C17—C20—O7177.0 (6)C6—N3—Pb1—O2W84.9 (6)
N5—C17—C20—O8176.8 (5)C8—N3—Pb1—O2W96.4 (3)
C18—C17—C20—O83.7 (9)C6—N3—Pb1—N550.8 (6)
C2—C1—N1—C50.1 (9)C8—N3—Pb1—N5127.9 (3)
C2—C1—N1—Pb1i167.2 (5)C16—N5—Pb1—O1W101.7 (6)
C4—C5—N1—C10.4 (8)C17—N5—Pb1—O1W98.7 (4)
C4—C5—N1—Pb1i165.5 (4)C16—N5—Pb1—O362.4 (6)
N3—C6—N2—C70.6 (6)C17—N5—Pb1—O3137.9 (3)
C4—C6—N2—C7177.2 (5)C16—N5—Pb1—N1ii164.7 (5)
C8—C7—N2—C61.1 (6)C17—N5—Pb1—N1ii35.6 (4)
C9—C7—N2—C6178.5 (5)C16—N5—Pb1—O7172.9 (6)
N2—C6—N3—C80.2 (6)C17—N5—Pb1—O713.3 (3)
C4—C6—N3—C8177.9 (5)C16—N5—Pb1—O2W58.2 (6)
N2—C6—N3—Pb1178.6 (4)C17—N5—Pb1—O2W101.5 (4)
C4—C6—N3—Pb10.8 (9)C16—N5—Pb1—N35.8 (6)
C7—C8—N3—C60.9 (6)C17—N5—Pb1—N3165.5 (3)
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+1/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W···N4ii0.931.742.664 (6)170
N2—H2N···O3Wiii0.832.022.822 (6)161
O2—H2O···O40.821.652.469 (6)179
O1W—H2W···O6iv0.832.002.767 (6)154
O2W—H3W···O1Wv0.802.192.849 (6)140
O2W—H4W···O1vi0.821.982.788 (6)170
O5—H5O···O80.831.602.435 (6)175
O3W—H5W···O7vii0.802.242.981 (6)156
N6—H6N···O4Wi0.862.002.850 (7)170
O3W—H6W···O4viii0.782.473.129 (7)143
O4W—H7W···O40.852.522.941 (6)112
O4W—H8W···O3W0.822.243.047 (7)168
C2—H2···O8ix0.932.413.226 (7)147
C12—H12···O2iii0.932.463.384 (7)174
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+1/2, z1/2; (iii) x+1, y+1, z+1; (iv) x+1, y, z+1; (v) x1, y, z; (vi) x, y+1, z+1; (vii) x+1, y+1/2, z+1/2; (viii) x+1, y, z; (ix) x, y, z+1.
 

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