catena-Poly[[[diaquacadmium(II)]bis[μ-2-(pyridinium-1-yl)butanedioato]-κ2O1:O4;κ2O4:O1] tetrahydrate], a polymeric chain structure

Liu, Z.-H.; Zhu, S.

doi:10.1107/S1600536810041607

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 11| November 2010| Page m1462

https://doi.org/10.1107/S1600536810041607

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catena-Poly[[[diaquacadmium(II)]bis[μ-2-(pyridinium-1-yl)butanedioato]-κ²O¹:O⁴;κ²O⁴:O¹] tetrahydrate], a polymeric chain structure

Zhi-Hua Liu ^a ^* and Sen Zhu ^a

^aDepartment of Materials Science and Engineering, Tianjin Institute of Urban Construction, Tianjin 300384, People's Republic of China
^*Correspondence e-mail: sdwfliu@yahoo.cn

(Received 8 August 2010; accepted 15 October 2010; online 23 October 2010)

In the title complex, {[Cd(C₉H₈NO₄)₂(H₂O)₂]·4H₂O}_n, the Cd^II atom (site symmetry 2) is coordinated by six O atoms from four crystallographically related 1-(1,2-dicarboxylate)pyridin-1-ium ligands (L) and from two water molecules in a distorted octahedral geometry. Paired L ligands connect Cd^II atoms into a chain motif parallel to [001], which is further interlinked by O—H⋯O hydrogen bonds into a three-dimensional supramolecular net.

Related literature

For ligands including pyridyl and carboxylate groups as building tectons of the supramolecular lattice in inorganic–organic coordination chemistry, see: Batten (2001 ); Kitagawa & Matsuda (2007 ).

Experimental

Crystal data

[Cd(C₉H₈NO₄)₂(H₂O)₂]·4H₂O
M_r = 608.82
Monoclinic, C 2/c
a = 17.612 (4) Å
b = 9.798 (2) Å
c = 14.076 (3) Å
β = 102.63 (3)°
V = 2370.2 (8) Å³
Z = 4
Mo Kα radiation
μ = 1.00 mm⁻¹
T = 294 K
0.28 × 0.22 × 0.20 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.768, T_max = 0.826
2598 measured reflections
2086 independent reflections
1854 reflections with I > 2σ(I)
R_int = 0.026

Refinement

R[F² > 2σ(F²)] = 0.036
wR(F²) = 0.092
S = 1.14
2086 reflections
159 parameters
H-atom parameters constrained
Δρ_max = 0.75 e Å⁻³
Δρ_min = −0.53 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—O1	2.271 (3)
Cd1—O1ⁱ	2.271 (3)
Cd1—O5ⁱ	2.284 (3)
Cd1—O5	2.284 (3)
Cd1—O3ⁱⁱ	2.298 (3)
Cd1—O3ⁱⁱⁱ	2.298 (3)
Symmetry codes: (i) $[-x+2, y, -z+{\script{1\over 2}}]$ ; (ii) $[x, -y+1, z-{\script{1\over 2}}]$ ; (iii) -x+2, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O4ⁱⁱⁱ	0.85	1.83	2.649 (6)	162
O5—H5B⋯O7^iv	0.85	1.91	2.680 (5)	150
O6—H6A⋯O7^v	0.85	2.24	2.964 (6)	143
O6—H6B⋯O2^vi	0.85	1.90	2.753 (5)	177
O7—H7A⋯O6^vii	0.84	1.93	2.753 (6)	169
O7—H7B⋯O4^viii	0.90	1.80	2.700 (5)	172
Symmetry codes: (iii) -x+2, -y+1, -z+1; (iv) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (v) $[-x+1, y, -z+{\script{1\over 2}}]$ ; (vi) x, y-1, z; (vii) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (viii) $[x-1, -y+1, z-{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2003 ); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2005 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810041607/kj2155sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810041607/kj2155Isup2.hkl

checkCIF report

Comment top

Versatile ligands involving pyridyl and carboxylate groups have been proven to be effective building tectons of supramolecular lattice in the field of inorganic-organic coordination chemistry (Batten, 2001; Kitagawa & Matsuda, 2007).

In this paper, 1-(1,2-dicarboxyethyl)pyridin-1-ium chloride was employed as a bridging ligand to assemble with Cd^II into a one-dimensional polymeric chain motif, in which the coordination geometry of Cd^II can be portrayed as a distorted octahedron (CdO₆) (Fig. 1). With the aid of the two monodentate carboxylates of L, the adjacent Cd^II ions are further interlinked to afford a chain motif along the [001] direction (Fig. 2). Additionally, strong O—H···O bonds are found between the coordinated water ligands, carboxylates, and lattice water molecules, to generating a complicated three-dimensional supramoleculecular lattice (Fig. 3).

Related literature top

For ligands including pyridyl and carboxylate groups as building tectons of the supramolecular lattice in inorganic–organic coordination chemistry, see: Batten (2001); Kitagawa & Matsuda (2007). Scheme should show uncoordinated water. Coordinated waters should be linked through O atoms (not H as shown)

Experimental top

A water solution (8 ml) containing CdCl₂(18.4 mg, 0.1 mmol) and 1-(1,2-dicarboxyethyl)pyridin-1-ium chloride (23.1 mg, 0.1 mmol) was heated to 373 K for 24 h and subsequently cooled to room temperature at a rate of 1 K/h. Colorless block shape crystals were obtained.

Structure description top

Computing details top

Data collection: SMART (Bruker, 2003); cell refinement: SMART (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure with atom-labelling scheme and ellipsoids drawn at the 50% probability level. Symmetry operations: (i) -x+2, y, -z+1/2; (ii) x, -y+1, z-1/2; (iii) -x+2, -y+1, -z+1.
	Fig. 2. View of the one-dimensional polymeric chain along the [001] direction.
	Fig. 3. Part of the three-dimensional supramolecular net, showing the hydrogen bonds in red dashed lines. H atoms not involved in H-bonsing have been omitted for clarity.

catena-Poly[[[diaquacadmium(II)]bis[µ-2-(pyridinium-1- yl)butanedioato]-κ²O¹:O⁴;κ²O⁴:O¹] tetrahydrate] top

Crystal data top

[Cd(C₉H₈NO₄)₂(H₂O)₂]·4H₂O	F(000) = 1240
M_r = 608.82	D_x = 1.706 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 17.612 (4) Å	Cell parameters from 2290 reflections
b = 9.798 (2) Å	θ = 2.5–22.0°
c = 14.076 (3) Å	µ = 1.00 mm⁻¹
β = 102.63 (3)°	T = 294 K
V = 2370.2 (8) Å³	Block, colourless
Z = 4	0.28 × 0.22 × 0.20 mm

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	2086 independent reflections
Radiation source: fine-focus sealed tube	1854 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.026
phi and ω scans	θ_max = 25.0°, θ_min = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −1→20
T_min = 0.768, T_max = 0.826	k = −1→11
2598 measured reflections	l = −16→16

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.092	H-atom parameters constrained
S = 1.14	w = 1/[σ²(F_o²) + (0.0445P)² + 4.7881P] where P = (F_o² + 2F_c²)/3
2086 reflections	(Δ/σ)_max < 0.001
159 parameters	Δρ_max = 0.75 e Å⁻³
0 restraints	Δρ_min = −0.53 e Å⁻³

Crystal data top

[Cd(C₉H₈NO₄)₂(H₂O)₂]·4H₂O	V = 2370.2 (8) Å³
M_r = 608.82	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 17.612 (4) Å	µ = 1.00 mm⁻¹
b = 9.798 (2) Å	T = 294 K
c = 14.076 (3) Å	0.28 × 0.22 × 0.20 mm
β = 102.63 (3)°

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	2086 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	1854 reflections with I > 2σ(I)
T_min = 0.768, T_max = 0.826	R_int = 0.026
2598 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.036	0 restraints
wR(F²) = 0.092	H-atom parameters constrained
S = 1.14	Δρ_max = 0.75 e Å⁻³
2086 reflections	Δρ_min = −0.53 e Å⁻³
159 parameters

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

	x	y	z	U_iso*/U_eq
Cd1	1.0000	0.64349 (4)	0.2500	0.02528 (15)
O1	0.9894 (2)	0.8142 (3)	0.3555 (2)	0.0422 (8)
O2	0.9118 (2)	0.9428 (3)	0.4220 (2)	0.0462 (8)
O3	1.00096 (16)	0.5232 (3)	0.6354 (2)	0.0341 (7)
O4	1.12761 (18)	0.5582 (4)	0.6576 (3)	0.0524 (9)
O5	0.8676 (2)	0.6277 (4)	0.2046 (3)	0.0687 (12)
H5A	0.8626	0.5792	0.2530	0.103*
H5B	0.8432	0.7031	0.1969	0.103*
O6	0.7816 (2)	0.0490 (4)	0.4730 (3)	0.0579 (10)
H6A	0.7535	0.0987	0.4297	0.087*
H6B	0.8219	0.0142	0.4590	0.087*
O7	0.2566 (2)	0.3103 (4)	0.1327 (3)	0.0616 (11)
H7A	0.2647	0.3431	0.0808	0.092*
H7B	0.2122	0.3469	0.1436	0.092*
N1	0.91334 (18)	0.7734 (3)	0.5733 (2)	0.0239 (7)
C1	0.9343 (2)	0.8872 (4)	0.6275 (3)	0.0280 (9)
H1	0.9779	0.9367	0.6209	0.034*
C2	0.8904 (3)	0.9292 (5)	0.6926 (3)	0.0365 (10)
H2	0.9051	1.0062	0.7308	0.044*
C3	0.8258 (3)	0.8577 (6)	0.7007 (3)	0.0471 (12)
H3	0.7957	0.8865	0.7437	0.057*
C4	0.8052 (3)	0.7424 (6)	0.6447 (3)	0.0466 (12)
H4	0.7612	0.6927	0.6497	0.056*
C5	0.8502 (3)	0.7015 (5)	0.5813 (3)	0.0349 (10)
H5	0.8368	0.6234	0.5438	0.042*
C6	0.9595 (2)	0.7326 (4)	0.5014 (3)	0.0255 (8)
H6	0.9377	0.6466	0.4718	0.031*
C7	0.9515 (2)	0.8395 (4)	0.4189 (3)	0.0275 (9)
C8	1.0448 (2)	0.7062 (4)	0.5496 (3)	0.0285 (9)
H8A	1.0732	0.6894	0.4990	0.034*
H8B	1.0661	0.7882	0.5840	0.034*
C9	1.0585 (2)	0.5875 (4)	0.6204 (3)	0.0281 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0303 (2)	0.0218 (2)	0.0267 (2)	0.000	0.01280 (16)	0.000
O1	0.079 (2)	0.0277 (16)	0.0296 (15)	0.0071 (15)	0.0322 (16)	0.0015 (12)
O2	0.068 (2)	0.0403 (19)	0.0370 (17)	0.0216 (17)	0.0266 (16)	0.0156 (15)
O3	0.0361 (16)	0.0282 (16)	0.0382 (16)	−0.0014 (13)	0.0082 (13)	0.0115 (13)
O4	0.0336 (18)	0.053 (2)	0.068 (2)	0.0012 (16)	0.0067 (16)	0.0288 (19)
O5	0.0371 (19)	0.071 (3)	0.097 (3)	0.0077 (19)	0.0120 (19)	0.046 (2)
O6	0.054 (2)	0.063 (2)	0.059 (2)	0.0183 (19)	0.0183 (17)	0.0063 (19)
O7	0.052 (2)	0.057 (2)	0.083 (3)	0.0200 (18)	0.031 (2)	0.030 (2)
N1	0.0297 (17)	0.0241 (17)	0.0187 (15)	−0.0018 (14)	0.0069 (13)	0.0010 (13)
C1	0.036 (2)	0.025 (2)	0.0237 (18)	−0.0027 (17)	0.0075 (16)	0.0009 (15)
C2	0.049 (3)	0.039 (2)	0.0236 (19)	0.008 (2)	0.0114 (18)	−0.0039 (19)
C3	0.046 (3)	0.066 (3)	0.037 (2)	0.009 (3)	0.025 (2)	0.005 (3)
C4	0.040 (3)	0.058 (3)	0.046 (3)	−0.002 (2)	0.019 (2)	0.010 (2)
C5	0.040 (2)	0.033 (2)	0.031 (2)	−0.007 (2)	0.0091 (18)	0.0010 (18)
C6	0.036 (2)	0.0190 (19)	0.0241 (19)	0.0006 (17)	0.0128 (16)	−0.0013 (15)
C7	0.041 (2)	0.022 (2)	0.0219 (18)	0.0005 (18)	0.0113 (16)	0.0026 (16)
C8	0.034 (2)	0.024 (2)	0.030 (2)	−0.0007 (18)	0.0127 (17)	0.0053 (17)
C9	0.038 (2)	0.0198 (19)	0.027 (2)	−0.0006 (18)	0.0087 (17)	−0.0016 (16)

Geometric parameters (Å, º) top

Cd1—O1	2.271 (3)	N1—C1	1.356 (5)
Cd1—O1ⁱ	2.271 (3)	N1—C6	1.485 (5)
Cd1—O5ⁱ	2.284 (3)	C1—C2	1.384 (5)
Cd1—O5	2.284 (3)	C1—H1	0.9300
Cd1—O3ⁱⁱ	2.298 (3)	C2—C3	1.363 (7)
Cd1—O3ⁱⁱⁱ	2.298 (3)	C2—H2	0.9300
O1—C7	1.250 (5)	C3—C4	1.381 (7)
O2—C7	1.236 (5)	C3—H3	0.9300
O3—C9	1.250 (5)	C4—C5	1.376 (6)
O3—Cd1ⁱⁱⁱ	2.298 (3)	C4—H4	0.9300
O4—C9	1.248 (5)	C5—H5	0.9300
O5—H5A	0.8501	C6—C8	1.528 (5)
O5—H5B	0.8500	C6—C7	1.548 (5)
O6—H6A	0.8500	C6—H6	0.9800
O6—H6B	0.8500	C8—C9	1.517 (6)
O7—H7A	0.8391	C8—H8A	0.9700
O7—H7B	0.9029	C8—H8B	0.9700
N1—C5	1.341 (5)

O1—Cd1—O1ⁱ	85.13 (14)	C3—C2—H2	120.0
O1—Cd1—O5ⁱ	95.28 (13)	C1—C2—H2	120.0
O1ⁱ—Cd1—O5ⁱ	90.45 (15)	C2—C3—C4	119.5 (4)
O1—Cd1—O5	90.45 (15)	C2—C3—H3	120.3
O1ⁱ—Cd1—O5	95.28 (13)	C4—C3—H3	120.3
O5ⁱ—Cd1—O5	172.2 (2)	C5—C4—C3	119.5 (4)
O1—Cd1—O3ⁱⁱ	175.18 (12)	C5—C4—H4	120.3
O1ⁱ—Cd1—O3ⁱⁱ	92.87 (10)	C3—C4—H4	120.3
O5ⁱ—Cd1—O3ⁱⁱ	89.11 (12)	N1—C5—C4	120.5 (4)
O5—Cd1—O3ⁱⁱ	85.37 (14)	N1—C5—H5	119.7
O1—Cd1—O3ⁱⁱⁱ	92.87 (10)	C4—C5—H5	119.7
O1ⁱ—Cd1—O3ⁱⁱⁱ	175.18 (12)	N1—C6—C8	112.0 (3)
O5ⁱ—Cd1—O3ⁱⁱⁱ	85.37 (14)	N1—C6—C7	110.8 (3)
O5—Cd1—O3ⁱⁱⁱ	89.11 (12)	C8—C6—C7	111.5 (3)
O3ⁱⁱ—Cd1—O3ⁱⁱⁱ	89.46 (15)	N1—C6—H6	107.4
C7—O1—Cd1	138.2 (3)	C8—C6—H6	107.4
C9—O3—Cd1ⁱⁱⁱ	127.4 (3)	C7—C6—H6	107.4
Cd1—O5—H5A	95.3	O2—C7—O1	125.6 (4)
Cd1—O5—H5B	115.7	O2—C7—C6	119.1 (3)
H5A—O5—H5B	116.7	O1—C7—C6	115.2 (3)
H6A—O6—H6B	116.6	C9—C8—C6	114.9 (3)
H7A—O7—H7B	108.3	C9—C8—H8A	108.5
C5—N1—C1	120.9 (3)	C6—C8—H8A	108.5
C5—N1—C6	120.2 (3)	C9—C8—H8B	108.5
C1—N1—C6	118.8 (3)	C6—C8—H8B	108.5
N1—C1—C2	119.6 (4)	H8A—C8—H8B	107.5
N1—C1—H1	120.2	O4—C9—O3	124.4 (4)
C2—C1—H1	120.2	O4—C9—C8	116.9 (4)
C3—C2—C1	120.0 (4)	O3—C9—C8	118.6 (4)

O1ⁱ—Cd1—O1—C7	141.1 (5)	C5—N1—C6—C7	111.7 (4)
O5ⁱ—Cd1—O1—C7	−128.9 (4)	C1—N1—C6—C7	−65.7 (4)
O5—Cd1—O1—C7	45.9 (4)	Cd1—O1—C7—O2	−126.2 (4)
O3ⁱⁱⁱ—Cd1—O1—C7	−43.3 (4)	Cd1—O1—C7—C6	56.5 (6)
C5—N1—C1—C2	0.5 (6)	N1—C6—C7—O2	1.7 (5)
C6—N1—C1—C2	178.0 (3)	C8—C6—C7—O2	−123.8 (4)
N1—C1—C2—C3	−1.2 (6)	N1—C6—C7—O1	179.2 (3)
C1—C2—C3—C4	1.0 (7)	C8—C6—C7—O1	53.6 (5)
C2—C3—C4—C5	−0.1 (7)	N1—C6—C8—C9	64.2 (4)
C1—N1—C5—C4	0.3 (6)	C7—C6—C8—C9	−171.0 (3)
C6—N1—C5—C4	−177.1 (4)	Cd1ⁱⁱⁱ—O3—C9—O4	10.1 (6)
C3—C4—C5—N1	−0.5 (7)	Cd1ⁱⁱⁱ—O3—C9—C8	−172.2 (3)
C5—N1—C6—C8	−123.1 (4)	C6—C8—C9—O4	176.5 (4)
C1—N1—C6—C8	59.5 (4)	C6—C8—C9—O3	−1.3 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O4ⁱⁱⁱ	0.85	1.83	2.649 (6)	162
O5—H5B···O7^iv	0.85	1.91	2.680 (5)	150
O6—H6A···O7^v	0.85	2.24	2.964 (6)	143
O6—H6B···O2^vi	0.85	1.90	2.753 (5)	177
O7—H7A···O6^vii	0.84	1.93	2.753 (6)	169
O7—H7B···O4^viii	0.90	1.80	2.700 (5)	172

Symmetry codes: (iii) −x+2, −y+1, −z+1; (iv) x+1/2, y+1/2, z; (v) −x+1, y, −z+1/2; (vi) x, y−1, z; (vii) x−1/2, −y+1/2, z−1/2; (viii) x−1, −y+1, z−1/2.

Experimental details

Crystal data
Chemical formula	[Cd(C₉H₈NO₄)₂(H₂O)₂]·4H₂O
M_r	608.82
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	294
a, b, c (Å)	17.612 (4), 9.798 (2), 14.076 (3)
β (°)	102.63 (3)
V (Å³)	2370.2 (8)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.00
Crystal size (mm)	0.28 × 0.22 × 0.20

Data collection
Diffractometer	Bruker SMART APEX CCD area-detector
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.768, 0.826
No. of measured, independent and observed [I > 2σ(I)] reflections	2598, 2086, 1854
R_int	0.026
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.036, 0.092, 1.14
No. of reflections	2086
No. of parameters	159
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.75, −0.53

Computer programs: SMART (Bruker, 2003), SAINT (Bruker, 2003), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2005), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—O1	2.271 (3)	Cd1—O5	2.284 (3)
Cd1—O1ⁱ	2.271 (3)	Cd1—O3ⁱⁱ	2.298 (3)
Cd1—O5ⁱ	2.284 (3)	Cd1—O3ⁱⁱⁱ	2.298 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O4ⁱⁱⁱ	0.85	1.83	2.649 (6)	162
O5—H5B···O7^iv	0.85	1.91	2.680 (5)	150
O6—H6A···O7^v	0.85	2.24	2.964 (6)	143
O6—H6B···O2^vi	0.85	1.90	2.753 (5)	177
O7—H7A···O6^vii	0.84	1.93	2.753 (6)	169
O7—H7B···O4^viii	0.90	1.80	2.700 (5)	172

Symmetry codes: (iii) −x+2, −y+1, −z+1; (iv) x+1/2, y+1/2, z; (v) −x+1, y, −z+1/2; (vi) x, y−1, z; (vii) x−1/2, −y+1/2, z−1/2; (viii) x−1, −y+1, z−1/2.

References

Batten, S. R. (2001). CrystEngComm, 18, 1–7. Google Scholar
Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Bruker (2003). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Kitagawa, S. & Matsuda, R. (2007). Coord. Chem. Rev. 251, 2940–2509. Web of Science CrossRef Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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