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Acta Crystallogr Sect E Struct Rep Online. 2010 August 1; 66(Pt 8): m887.
Published online 2010 July 7. doi:  10.1107/S1600536810025687
PMCID: PMC3007509

Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) dihepta­noate dihydrate

Abstract

The CuII atom in the title salt, [Cu(C10H24N4)(H2O)2][CH3(CH2)5CO2]2·2H2O, is chelated by the four N atoms of the 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and is coordinated by two water mol­ecules in a tetra­gonally Jahn–Teller-distorted octa­hedral geometry. The CuII atom lies on a center of inversion. The cations, anions and uncoordinated water mol­ecules are linked by N—H(...)O and O—H(...)O hydrogen bonds, forming a layer structure parallel to (100). The alkyl chain of the anion is disordered over two positions in a 0.82 (1):0.18 (1) ratio.

Related literature

For related diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)copper carboxyl­ates, see: Lindoy et al. (2003 [triangle]); Hunter et al. (2005 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m887-scheme1.jpg

Experimental

Crystal data

  • [Cu(C10H24N4)(H2O)2](C7H13O2)2·2H2O
  • M r = 594.28
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m887-efi1.jpg
  • a = 11.7257 (6) Å
  • b = 9.9426 (5) Å
  • c = 13.4573 (7) Å
  • β = 103.1363 (7)°
  • V = 1527.85 (14) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 0.76 mm−1
  • T = 100 K
  • 0.35 × 0.25 × 0.15 mm

Data collection

  • Bruker SMART APEX diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.776, T max = 0.894
  • 14358 measured reflections
  • 3506 independent reflections
  • 3140 reflections with I > 2σ(I)
  • R int = 0.022

Refinement

  • R[F 2 > 2σ(F 2)] = 0.028
  • wR(F 2) = 0.079
  • S = 1.06
  • 3506 reflections
  • 212 parameters
  • 12 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.81 e Å−3
  • Δρmin = −0.31 e Å−3

Data collection: APEX2 (Bruker, 2009 [triangle]); cell refinement: SAINT (Bruker, 2009 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: X-SEED (Barbour, 2001 [triangle]); software used to prepare material for publication: publCIF (Westrip, 2010 [triangle]).

Table 1
Selected bond lengths (Å)
Table 2
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810025687/bt5285sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810025687/bt5285Isup2.hkl

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

Acknowledgments

We thank the University of Malaya (RG039/09SUS) and the Ministry of Higher Education (FP017/2009) for supporting this study.

supplementary crystallographic information

Comment

The copper(II) ion forms a number of complexes with 1,4,8,11-tetraazacyclotetradecane in which the metal atom is coordinated by the four amino donor-atoms of the cyclic ligand. Among the carboxylate derivatives, neither the acetate nor the benzoate ions bind directly with the copper atom. The copper atom is coordinated instead by water molecules so that the carboxylate group interacts indirectly with the metal atom through the coordinated water molecules (Hunter et al., 2005; Lindoy et al., 2003). The copper(II) atom in the salt, [Cu(H2O)2(C10H24N4)]2+ 2[CH3(CH2)5CO2]-.2H2O (Scheme I), is chelated by the four nitrogen atoms of the cyclam ligand and is coordinated by two water molecules in a Jahn-Teller type of tetragonally distorted octahedral geometry. The copper atom lies on a center of inversion (Fig. 1). The cations, anions and lattice water molecules are linked by N–H···O and O–H···O hydrogen bonds to form a layer structure.

Experimental

1,4,8,11-Tetraazacyclotetradecane (0.50 g, 2.50 mmol) dissolved in ethanol (25 ml) was mixed with a suspension of copper heptanoate (0.80 g, 2.5 mmol) in ethanol (50 ml) to give a purple solution. The solution was heated for an hour and then filtered. Prismatic crystals separated from the solution when it was left to cool slowly.

Refinement

Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.99 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5U(C).

The amino and water H-atoms were located in a difference Fourier map, and were refined with distance restraints of N–H···O 0.86±0.01, O–H 0.84±0.01 Å; their isotropic displacement parameters were freely refined.

The alkyl chain of the carboxylate ion is disordered over two positions; the disorder refined to an 82 (1):18 (1) ratio. Bond distances for each pair of bonds were restrained to within 0.01Å of each other. The displacement parameters of the primed atoms were constrained to be equal of those of the unprimed ones.

Figures

Fig. 1.
Anisotropic displacement ellipsoid plot (Barbour, 2001) of [Cu(H2O)2(C10H24N4)]2+ 2[CH3(CH2)5CO2]-.2H2O at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. The disorder in the alkyl chain is not shown.

Crystal data

[Cu(C10H24N4)(H2O)2](C7H13O2)2·2H2OF(000) = 646
Mr = 594.28Dx = 1.292 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 8003 reflections
a = 11.7257 (6) Åθ = 2.6–28.3°
b = 9.9426 (5) ŵ = 0.76 mm1
c = 13.4573 (7) ÅT = 100 K
β = 103.1363 (7)°Block, purple
V = 1527.85 (14) Å30.35 × 0.25 × 0.15 mm
Z = 2

Data collection

Bruker SMART APEX diffractometer3506 independent reflections
Radiation source: fine-focus sealed tube3140 reflections with I > 2σ(I)
graphiteRint = 0.022
ω scansθmax = 27.5°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −15→15
Tmin = 0.776, Tmax = 0.894k = −12→12
14358 measured reflectionsl = −17→17

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079H atoms treated by a mixture of independent and constrained refinement
S = 1.06w = 1/[σ2(Fo2) + (0.0406P)2 + 0.7328P] where P = (Fo2 + 2Fc2)/3
3506 reflections(Δ/σ)max = 0.001
212 parametersΔρmax = 0.81 e Å3
12 restraintsΔρmin = −0.31 e Å3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/UeqOcc. (<1)
Cu10.50000.50000.50000.01672 (8)
O10.37230 (9)0.57029 (10)0.88828 (7)0.0254 (2)
O20.35970 (10)0.48007 (10)0.73553 (8)0.0260 (2)
O1W0.35364 (10)0.35174 (11)0.55509 (8)0.0262 (2)
H110.3445 (19)0.378 (2)0.6109 (10)0.047 (6)*
H120.3586 (17)0.2684 (10)0.5589 (15)0.035 (5)*
O2W0.38768 (10)0.07550 (11)0.57173 (8)0.0272 (2)
H210.372 (2)0.031 (2)0.5184 (11)0.045 (6)*
H220.4606 (9)0.070 (2)0.5895 (16)0.046 (6)*
N10.62254 (10)0.35391 (11)0.53855 (9)0.0196 (2)
H10.5925 (14)0.2927 (14)0.5699 (12)0.025 (4)*
N20.54008 (11)0.58808 (11)0.63930 (8)0.0196 (2)
H20.5052 (14)0.5435 (16)0.6783 (11)0.022 (4)*
C10.73634 (13)0.39280 (15)0.60465 (11)0.0246 (3)
H1A0.77600.45710.56760.030*
H1B0.78660.31200.62050.030*
C20.72217 (14)0.45693 (16)0.70380 (11)0.0267 (3)
H2A0.80030.46450.75070.032*
H2B0.67400.39670.73630.032*
C30.66565 (13)0.59536 (15)0.69082 (10)0.0242 (3)
H3A0.67380.63760.75870.029*
H3B0.70700.65280.65020.029*
C40.48410 (14)0.72262 (14)0.62714 (11)0.0244 (3)
H4A0.53140.78600.59640.029*
H4B0.47810.75840.69440.029*
C50.36356 (13)0.70700 (14)0.55851 (10)0.0231 (3)
H5A0.31460.64840.59140.028*
H5B0.32490.79580.54530.028*
C60.31775 (13)0.50923 (13)0.80991 (11)0.0203 (3)
C70.18993 (17)0.4746 (2)0.81018 (17)0.0289 (5)0.822 (3)
H7A0.18560.37880.82880.035*0.822 (3)
H7B0.16550.52910.86340.035*0.822 (3)
C80.10391 (17)0.49936 (19)0.70811 (18)0.0318 (5)0.822 (3)
H8A0.13080.44890.65420.038*0.822 (3)
H8B0.02630.46330.71190.038*0.822 (3)
C90.09044 (18)0.6455 (2)0.67784 (15)0.0299 (5)0.822 (3)
H9A0.16910.68400.68120.036*0.822 (3)
H9B0.05560.69420.72790.036*0.822 (3)
C100.01464 (18)0.6690 (2)0.57143 (18)0.0357 (5)0.822 (3)
H10A0.04330.61060.52270.043*0.822 (3)
H10B−0.06650.64110.57090.043*0.822 (3)
C110.01253 (18)0.8120 (3)0.53458 (18)0.0402 (6)0.822 (3)
H11A0.09280.83840.53060.048*0.822 (3)
H11B−0.01180.87140.58510.048*0.822 (3)
C12−0.0696 (3)0.8339 (5)0.4308 (2)0.0541 (9)0.822 (3)
H12A−0.06710.92860.41120.081*0.822 (3)
H12B−0.14970.81010.43440.081*0.822 (3)
H12C−0.04500.77710.37990.081*0.822 (3)
C7'0.2043 (7)0.4295 (9)0.7967 (10)0.0289 (5)0.18
H7'10.19810.38680.86170.035*0.178 (3)
H7'20.19950.35890.74410.035*0.178 (3)
C8'0.1079 (7)0.5358 (9)0.7631 (8)0.0318 (5)0.18
H8'10.03020.49280.75480.038*0.178 (3)
H8'20.11520.60570.81650.038*0.178 (3)
C9'0.1167 (9)0.6010 (11)0.6632 (7)0.0299 (5)0.18
H9'10.12380.52970.61370.036*0.178 (3)
H9'20.18890.65610.67500.036*0.178 (3)
C10'0.0116 (8)0.6905 (12)0.6166 (8)0.0357 (5)0.18
H10C−0.06190.63840.60880.043*0.178 (3)
H10D0.00800.76760.66240.043*0.178 (3)
C11'0.0239 (9)0.7419 (15)0.5123 (8)0.0402 (6)0.18
H11C0.03630.66460.46960.048*0.178 (3)
H11D0.09340.80100.52150.048*0.178 (3)
C12'−0.0852 (14)0.820 (3)0.4572 (14)0.0541 (9)0.18
H12D−0.07330.85390.39180.081*0.178 (3)
H12E−0.09830.89640.49960.081*0.178 (3)
H12F−0.15360.76080.44500.081*0.178 (3)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Cu10.02403 (13)0.01387 (12)0.01321 (12)−0.00126 (8)0.00619 (9)−0.00200 (7)
O10.0350 (6)0.0224 (5)0.0193 (5)0.0001 (4)0.0071 (4)−0.0030 (4)
O20.0375 (6)0.0262 (5)0.0170 (5)−0.0036 (4)0.0114 (4)−0.0006 (4)
O1W0.0414 (6)0.0197 (5)0.0214 (5)−0.0041 (4)0.0155 (5)−0.0017 (4)
O2W0.0334 (6)0.0254 (5)0.0243 (5)0.0020 (4)0.0098 (5)−0.0037 (4)
N10.0278 (6)0.0160 (5)0.0168 (5)−0.0017 (4)0.0087 (5)0.0008 (4)
N20.0286 (6)0.0164 (5)0.0154 (5)−0.0036 (4)0.0086 (5)−0.0012 (4)
C10.0262 (7)0.0244 (7)0.0236 (7)0.0000 (6)0.0062 (6)0.0026 (5)
C20.0281 (7)0.0309 (7)0.0195 (7)−0.0030 (6)0.0023 (6)0.0020 (6)
C30.0296 (7)0.0261 (7)0.0167 (6)−0.0071 (6)0.0048 (5)−0.0043 (5)
C40.0397 (8)0.0157 (6)0.0200 (7)−0.0013 (6)0.0114 (6)−0.0040 (5)
C50.0348 (8)0.0175 (6)0.0201 (7)0.0028 (5)0.0129 (6)0.0003 (5)
C60.0256 (7)0.0181 (6)0.0180 (6)−0.0008 (5)0.0067 (5)0.0044 (5)
C70.0285 (9)0.0325 (12)0.0286 (11)−0.0059 (9)0.0126 (7)0.0039 (9)
C80.0227 (9)0.0334 (11)0.0399 (13)−0.0077 (7)0.0084 (9)−0.0050 (8)
C90.0235 (10)0.0395 (13)0.0263 (10)−0.0052 (8)0.0048 (7)−0.0021 (8)
C100.0227 (8)0.0492 (12)0.0325 (12)−0.0052 (8)0.0008 (9)−0.0009 (10)
C110.0225 (9)0.0668 (17)0.0313 (11)0.0054 (11)0.0064 (8)0.0068 (11)
C120.0371 (14)0.0795 (19)0.039 (2)0.0062 (13)−0.0047 (11)0.0093 (15)
C7'0.0285 (9)0.0325 (12)0.0286 (11)−0.0059 (9)0.0126 (7)0.0039 (9)
C8'0.0227 (9)0.0334 (11)0.0399 (13)−0.0077 (7)0.0084 (9)−0.0050 (8)
C9'0.0235 (10)0.0395 (13)0.0263 (10)−0.0052 (8)0.0048 (7)−0.0021 (8)
C10'0.0227 (8)0.0492 (12)0.0325 (12)−0.0052 (8)0.0008 (9)−0.0009 (10)
C11'0.0225 (9)0.0668 (17)0.0313 (11)0.0054 (11)0.0064 (8)0.0068 (11)
C12'0.0371 (14)0.0795 (19)0.039 (2)0.0062 (13)−0.0047 (11)0.0093 (15)

Geometric parameters (Å, °)

Cu1—N12.026 (1)C7—H7B0.9900
Cu1—N22.025 (1)C8—C91.507 (3)
Cu1—N2i2.025 (1)C8—H8A0.9900
Cu1—N1i2.026 (1)C8—H8B0.9900
Cu1—O1w2.499 (1)C9—C101.522 (3)
O1—C61.2584 (18)C9—H9A0.9900
O2—C61.2456 (18)C9—H9B0.9900
O1W—H110.826 (10)C10—C111.504 (3)
O1W—H120.831 (9)C10—H10A0.9900
O2W—H210.829 (10)C10—H10B0.9900
O2W—H220.836 (10)C11—C121.521 (3)
N1—C11.4771 (19)C11—H11A0.9900
N1—C5i1.4818 (17)C11—H11B0.9900
N1—H10.860 (9)C12—H12A0.9800
N2—C31.4798 (18)C12—H12B0.9800
N2—C41.4827 (18)C12—H12C0.9800
N2—H20.858 (9)C7'—C8'1.539 (9)
C1—C21.521 (2)C7'—H7'10.9900
C1—H1A0.9900C7'—H7'20.9900
C1—H1B0.9900C8'—C9'1.516 (8)
C2—C31.520 (2)C8'—H8'10.9900
C2—H2A0.9900C8'—H8'20.9900
C2—H2B0.9900C9'—C10'1.535 (9)
C3—H3A0.9900C9'—H9'10.9900
C3—H3B0.9900C9'—H9'20.9900
C4—C51.511 (2)C10'—C11'1.531 (9)
C4—H4A0.9900C10'—H10C0.9900
C4—H4B0.9900C10'—H10D0.9900
C5—N1i1.4818 (17)C11'—C12'1.538 (9)
C5—H5A0.9900C11'—H11C0.9900
C5—H5B0.9900C11'—H11D0.9900
C6—C7'1.524 (8)C12'—H12D0.9800
C6—C71.539 (2)C12'—H12E0.9800
C7—C81.528 (3)C12'—H12F0.9800
C7—H7A0.9900
N2—Cu1—N2i180.0H7A—C7—H7B107.7
N2—Cu1—N1i85.92 (5)C9—C8—C7113.91 (17)
N2i—Cu1—N1i94.08 (5)C9—C8—H8A108.8
N2—Cu1—N194.08 (5)C7—C8—H8A108.8
N2i—Cu1—N185.92 (5)C9—C8—H8B108.8
N1i—Cu1—N1180.0C7—C8—H8B108.8
N2—Cu1—O1W90.63 (4)H8A—C8—H8B107.7
N2i—Cu1—O1W89.37 (4)C8—C9—C10113.94 (18)
N1i—Cu1—O1W90.23 (4)C8—C9—H9A108.8
N1—Cu1—O1W89.77 (4)C10—C9—H9A108.8
Cu1—O1W—H11108.7 (16)C8—C9—H9B108.8
Cu1—O1W—H12124.3 (14)C10—C9—H9B108.8
H11—O1W—H12106 (2)H9A—C9—H9B107.7
H21—O2W—H22103 (2)C11—C10—C9114.72 (19)
C1—N1—C5i111.88 (11)C11—C10—H10A108.6
C1—N1—Cu1117.23 (9)C9—C10—H10A108.6
C5i—N1—Cu1106.32 (8)C11—C10—H10B108.6
C1—N1—H1107.7 (12)C9—C10—H10B108.6
C5i—N1—H1106.4 (12)H10A—C10—H10B107.6
Cu1—N1—H1106.7 (12)C10—C11—C12113.4 (3)
C3—N2—C4112.08 (11)C10—C11—H11A108.9
C3—N2—Cu1116.85 (9)C12—C11—H11A108.9
C4—N2—Cu1106.51 (8)C10—C11—H11B108.9
C3—N2—H2107.5 (12)C12—C11—H11B108.9
C4—N2—H2105.9 (12)H11A—C11—H11B107.7
Cu1—N2—H2107.4 (12)C11—C12—H12A109.5
N1—C1—C2111.97 (12)C11—C12—H12B109.5
N1—C1—H1A109.2H12A—C12—H12B109.5
C2—C1—H1A109.2C11—C12—H12C109.5
N1—C1—H1B109.2H12A—C12—H12C109.5
C2—C1—H1B109.2H12B—C12—H12C109.5
H1A—C1—H1B107.9C6—C7'—C8'103.9 (6)
C1—C2—C3114.22 (12)C6—C7'—H7'1111.0
C1—C2—H2A108.7C8'—C7'—H7'1111.0
C3—C2—H2A108.7C6—C7'—H7'2111.0
C1—C2—H2B108.7C8'—C7'—H7'2111.0
C3—C2—H2B108.7H7'1—C7'—H7'2109.0
H2A—C2—H2B107.6C9'—C8'—C7'111.2 (8)
N2—C3—C2111.77 (11)C9'—C8'—H8'1109.4
N2—C3—H3A109.3C7'—C8'—H8'1109.4
C2—C3—H3A109.3C9'—C8'—H8'2109.4
N2—C3—H3B109.3C7'—C8'—H8'2109.4
C2—C3—H3B109.3H8'1—C8'—H8'2108.0
H3A—C3—H3B107.9C8'—C9'—C10'113.6 (8)
N2—C4—C5107.69 (11)C8'—C9'—H9'1108.9
N2—C4—H4A110.2C10'—C9'—H9'1108.9
C5—C4—H4A110.2C8'—C9'—H9'2108.9
N2—C4—H4B110.2C10'—C9'—H9'2108.9
C5—C4—H4B110.2H9'1—C9'—H9'2107.7
H4A—C4—H4B108.5C11'—C10'—C9'109.5 (8)
N1i—C5—C4107.82 (11)C11'—C10'—H10C109.8
N1i—C5—H5A110.1C9'—C10'—H10C109.8
C4—C5—H5A110.1C11'—C10'—H10D109.8
N1i—C5—H5B110.1C9'—C10'—H10D109.8
C4—C5—H5B110.1H10C—C10'—H10D108.2
H5A—C5—H5B108.5C10'—C11'—C12'111.7 (10)
O2—C6—O1124.58 (14)C10'—C11'—H11C109.3
O2—C6—C7'106.2 (5)C12'—C11'—H11C109.3
O1—C6—C7'127.8 (5)C10'—C11'—H11D109.3
O2—C6—C7120.84 (14)C12'—C11'—H11D109.3
O1—C6—C7114.56 (14)H11C—C11'—H11D107.9
C7'—C6—C719.8 (4)C11'—C12'—H12D109.5
C8—C7—C6113.97 (16)C11'—C12'—H12E109.5
C8—C7—H7A108.8H12D—C12'—H12E109.5
C6—C7—H7A108.8C11'—C12'—H12F109.5
C8—C7—H7B108.8H12D—C12'—H12F109.5
C6—C7—H7B108.8H12E—C12'—H12F109.5
N2—Cu1—N1—C1−38.82 (10)C3—N2—C4—C5170.38 (11)
N2i—Cu1—N1—C1141.18 (10)Cu1—N2—C4—C541.42 (12)
O1W—Cu1—N1—C1−129.43 (9)N2—C4—C5—N1i−56.62 (14)
N2—Cu1—N1—C5i−164.78 (9)O2—C6—C7—C8−40.9 (2)
N2i—Cu1—N1—C5i15.22 (9)O1—C6—C7—C8137.52 (16)
O1W—Cu1—N1—C5i104.60 (9)C7'—C6—C7—C8−86.5 (15)
N1i—Cu1—N2—C3−140.76 (10)C6—C7—C8—C9−66.1 (2)
N1—Cu1—N2—C339.24 (10)C7—C8—C9—C10174.03 (18)
O1W—Cu1—N2—C3129.05 (9)C8—C9—C10—C11−172.59 (19)
N1i—Cu1—N2—C4−14.63 (9)C9—C10—C11—C12−176.5 (2)
N1—Cu1—N2—C4165.37 (9)O2—C6—C7'—C8'−105.8 (7)
O1W—Cu1—N2—C4−104.81 (9)O1—C6—C7'—C8'87.6 (8)
C5i—N1—C1—C2179.31 (11)C7—C6—C7'—C8'34.5 (10)
Cu1—N1—C1—C256.13 (14)C6—C7'—C8'—C9'60.9 (11)
N1—C1—C2—C3−69.50 (16)C7'—C8'—C9'—C10'170.4 (9)
C4—N2—C3—C2179.52 (11)C8'—C9'—C10'—C11'−175.3 (10)
Cu1—N2—C3—C2−57.16 (13)C9'—C10'—C11'—C12'174.2 (15)
C1—C2—C3—N270.11 (16)

Symmetry codes: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
N1—H1···O1ii0.86 (1)2.30 (1)2.983 (2)137 (2)
N2—H2···O20.86 (1)2.12 (1)2.924 (2)156 (2)
O1w—H11···O20.83 (1)1.93 (1)2.730 (2)162 (2)
O1w—H12···O2w0.83 (1)1.95 (1)2.777 (2)174 (2)
O2w—H21···O1iii0.83 (1)2.02 (1)2.833 (2)166 (2)
O2w—H22···O1ii0.84 (1)1.91 (1)2.743 (2)171 (2)

Symmetry codes: (ii) −x+1, y−1/2, −z+3/2; (iii) x, −y+1/2, z−1/2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5285).

References

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