Poly[tetra­aqua­(μ4-benzene-1,3,5-tri­carboxyl­ato)sodium(I)zinc(II)]

Ma, C.-H.; Wang, X.-Y.; Dong, X.-W.; Li, Y.-J.

doi:10.1107/S1600536810009232

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 4| April 2010| Page m416

doi:10.1107/S1600536810009232

Open

access

Poly[tetraaqua(μ₄-benzene-1,3,5-tricarboxylato)sodium(I)zinc(II)]

Chao-Hong Ma,^a Xiu-Yan Wang,^a Xian-Wu Dong ^a and Yu-Jie Li ^a ^*

^aJilin Agricultural Science and Technology College, Jilin 132101, People's Republic of China
^*Correspondence e-mail: jilindxw@yahoo.com.cn

(Received 3 February 2010; accepted 11 March 2010; online 17 March 2010)

In the title compound, [NaZn(C₉H₃O₆)(H₂O)₄]_n, the Zn^II atom is six-coordinated by four O atoms from two different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted tetragonal-bipyramidal geometry and the Na^I atom is five-coordinated by three O atoms from three different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted trigonal-bipyramidal geometry. The benzene-1,3,5-tricarboxylate anion bridges two Zn^II atoms and two Na^I atoms, resulting in the formation of a two-dimensional layer structure. Intermolecular O—H⋯O hydrogen-bonding interactions generate a three-dimensional superamolecular structure.

Related literature

For related sructures, see: Chui et al. (1999 ); Majumder et al. (2005 ).

Experimental

Crystal data

[NaZn(C₉H₃O₆)(H₂O)₄]
M_r = 367.54
Monoclinic, C 2/c
a = 23.425 (5) Å
b = 10.146 (2) Å
c = 14.427 (3) Å
β = 126.50 (3)°
V = 2756.3 (15) Å³
Z = 8
Mo Kα radiation
μ = 1.86 mm⁻¹
T = 293 K
0.23 × 0.22 × 0.20 mm

Data collection

Oxford Diffraction Gemini R Ultra diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007 $[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.765, T_max = 0.876
13077 measured reflections
3348 independent reflections
2119 reflections with I > 2σ(I)
R_int = 0.056

Refinement

R[F² > 2σ(F²)] = 0.065
wR(F²) = 0.187
S = 0.99
3348 reflections
214 parameters
106 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 1.68 e Å⁻³
Δρ_min = −0.79 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O5ⁱ	0.93 (5)	2.35 (8)	3.090 (6)	137 (9)
O2W—H2WA⋯O2ⁱⁱ	0.93 (5)	2.28 (9)	2.998 (6)	133 (9)
O3W—H3WA⋯O6	0.85 (5)	2.11 (7)	2.747 (7)	132 (7)
O4W—H4WB⋯O4ⁱⁱⁱ	1.00 (5)	1.71 (5)	2.686 (8)	166 (8)
O4W—H4WA⋯O3W^iv	0.85 (4)	2.37 (7)	2.948 (8)	126 (9)
Symmetry codes: (i) $[-x+1, y-1, -z+{\script{3\over 2}}]$ ; (ii) -x+1, -y+1, -z+1; (iii) -x+1, -y+2, -z+1; (iv) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: CrysAlis PRO (Oxford Diffraction, 2007 $[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); cell refinement: CrysAlis RED (Oxford Diffraction, 2007 $[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL and DIAMOND (Brandenburg, 1998 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810009232/jj2022sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810009232/jj2022Isup2.hkl

checkCIF report

Comment top

In the title compound, (I), each Zn^II cation is six-coordinated by five O atoms from two different benzene-1,3,5-tricarboxylate anions and two water molecules. The Zn—O (carboxylate) distance in I is similar to the equivalent value in a related compounds (Majumder et al. 2005). Each Na^I cation is five coordinated by three oxygen atoms from three different benzene-1,3,5-tricarboxylate anions and two water molecules. The Na—O (carboxylate) distance is similar to the related compounds (Chui et al. 1999) (Fig. 1). The Zn^II centers and the Na^I centers are bridged by benzene-1,3,5-tricarboxylate anions, resulting in a two dimensional layer (Fig. 2). In (I), there are intra and intermolecular O-H···O hydrogen bonds involving the water molecules and the oxygen atoms of the carboxylate groups (Table 1). The adjacent layers are bridged by the hydrogen bonds, and the whole structure displays a three dimensional supramolecular framework (Fig. 3).

Related literature top

For related sructures, see: Chui et al. (1999); Majumder et al. (2005).

Experimental top

The mixture of of benzene-1,3,5-tricarboxylate acid (0.063 g, 0.3 mmol), NaOH (0.024 g, 0.25 mmol), Zn(Ac)₂ (0.066 g, 0.3 mmol), and 10 ml H₂O was sealed in 18 ml Teflon-lined stainless steel container. The container was heated to 150 °C and held at that temperature for 72 h, then cooled to room temperature at a rate of 10 °C.h^-1. And then crystals of the title compound were isolated.

Computing details top

Data collection: CrysAlis PRO (Oxford Diffraction, 2007); cell refinement: CrysAlis RED (Oxford Diffraction, 2007); data reduction: CrysAlis RED (Oxford Diffraction, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1998).

Figures top

	Fig. 1. ORTEP diagram of the coordination environments for Zn^II atom and Na^I atom in (I), showing 30% probability displacement ellipsoids, crystalline water molecules and the atomic numbering scheme [symmetry code: (i) 1-x, y, 1.5-z; (ii) x-0.5, 1.5-y, z-0.5; (iii) x, y-1, z]. H atoms have been omitted for clarity.
	Fig. 2. The two dimensional layer of (I). The H atoms have been omitted.
	Fig. 3. The supramolecular framework of I.

Poly[tetraaqua(µ₄-benzene-1,3,5-tricarboxylato)sodium(I)zinc(II)] top

Crystal data top

[NaZn(C₉H₃O₆)(H₂O)₄]	F(000) = 1488
M_r = 367.54	D_x = 1.771 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 3348 reflections
a = 23.425 (5) Å	θ = 4.7–29.2°
b = 10.146 (2) Å	µ = 1.86 mm⁻¹
c = 14.427 (3) Å	T = 293 K
β = 126.50 (3)°	Block, colorless
V = 2756.3 (15) Å³	0.23 × 0.22 × 0.20 mm
Z = 8

Data collection top

Oxford Diffraction Gemini R Ultra diffractometer	3348 independent reflections
Radiation source: fine-focus sealed tube	2119 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.056
Detector resolution: 10.0 pixels mm^-1	θ_max = 29.2°, θ_min = 4.7°
ω scan	h = −31→29
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007)	k = −13→13
T_min = 0.765, T_max = 0.876	l = −19→15
13077 measured reflections

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)] = 0.065	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.187	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	w = 1/[σ²(F_o²) + (0.1186P)²] where P = (F_o² + 2F_c²)/3
3348 reflections	(Δ/σ)_max < 0.001
214 parameters	Δρ_max = 1.68 e Å⁻³
106 restraints	Δρ_min = −0.79 e Å⁻³

Crystal data top

[NaZn(C₉H₃O₆)(H₂O)₄]	V = 2756.3 (15) Å³
M_r = 367.54	Z = 8
Monoclinic, C2/c	Mo Kα radiation
a = 23.425 (5) Å	µ = 1.86 mm⁻¹
b = 10.146 (2) Å	T = 293 K
c = 14.427 (3) Å	0.23 × 0.22 × 0.20 mm
β = 126.50 (3)°

Data collection top

Oxford Diffraction Gemini R Ultra diffractometer	3348 independent reflections
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007)	2119 reflections with I > 2σ(I)
T_min = 0.765, T_max = 0.876	R_int = 0.056
13077 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.065	106 restraints
wR(F²) = 0.187	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	Δρ_max = 1.68 e Å⁻³
3348 reflections	Δρ_min = −0.79 e Å⁻³
214 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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
Zn1	0.44260 (3)	0.47289 (5)	0.56752 (5)	0.0277 (2)
Na1	0.29885 (10)	0.8061 (2)	0.4465 (2)	0.0406 (5)
C9	0.4802 (2)	1.2199 (5)	0.5988 (4)	0.0284 (7)
C8	0.7090 (3)	0.9737 (5)	0.8706 (5)	0.0331 (7)
C4	0.5942 (2)	1.0936 (5)	0.7306 (4)	0.0268 (6)
H008	0.6191	1.1727	0.7565	0.032*
C6	0.4854 (3)	0.9745 (4)	0.6091 (4)	0.0264 (6)
H012	0.4365	0.9746	0.5531	0.032*
C5	0.5209 (2)	1.0942 (4)	0.6463 (4)	0.0265 (6)
C3	0.6303 (3)	0.9744 (5)	0.7762 (4)	0.0280 (6)
C2	0.5932 (2)	0.8565 (5)	0.7375 (4)	0.0267 (7)
H017	0.6173	0.7773	0.7687	0.032*
C7	0.4788 (2)	0.7306 (5)	0.6098 (4)	0.0289 (6)
C1	0.5198 (2)	0.8558 (5)	0.6519 (4)	0.0263 (6)
O1	0.41242 (17)	0.7350 (3)	0.5455 (3)	0.0344 (7)
O1W	0.3853 (3)	0.4688 (5)	0.6293 (5)	0.0575 (12)
O2W	0.3838 (2)	0.4876 (6)	0.3961 (4)	0.0546 (12)
O4W	0.2642 (4)	0.7532 (7)	0.2655 (5)	0.094 (2)
O6	0.41411 (19)	1.2178 (4)	0.5267 (4)	0.0448 (10)
O3W	0.3018 (3)	1.0451 (6)	0.4118 (6)	0.087 (2)
O5	0.51477 (17)	1.3279 (3)	0.6362 (3)	0.0316 (7)
O2	0.51282 (16)	0.6223 (3)	0.6419 (3)	0.0292 (6)
O3	0.73536 (18)	0.8792 (4)	0.9374 (3)	0.0376 (7)
O4	0.7451 (2)	1.0708 (6)	0.8821 (6)	0.092 (2)
H1WA	0.392 (5)	0.402 (9)	0.679 (8)	0.138*
H4WA	0.224 (4)	0.730 (11)	0.207 (3)	0.138*
H4WB	0.269 (5)	0.822 (8)	0.221 (4)	0.138*
H3WA	0.331 (5)	1.086 (2)	0.475 (5)	0.138*
H3WB	0.336 (5)	1.053 (3)	0.394 (10)	0.138*
H2WB	0.363 (6)	0.559 (8)	0.345 (8)	0.138*
H1WB	0.340 (3)	0.471 (11)	0.579 (8)	0.138*
H2WA	0.389 (6)	0.440 (10)	0.347 (8)	0.138*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0207 (3)	0.0165 (3)	0.0349 (4)	0.0010 (2)	0.0105 (3)	0.0011 (2)
Na1	0.0259 (10)	0.0345 (12)	0.0480 (13)	0.0002 (9)	0.0148 (10)	−0.0034 (10)
C9	0.0229 (10)	0.0168 (11)	0.0363 (11)	0.0020 (9)	0.0126 (9)	0.0020 (9)
C8	0.0241 (11)	0.0219 (11)	0.0384 (12)	0.0024 (10)	0.0104 (10)	0.0052 (10)
C4	0.0220 (9)	0.0167 (10)	0.0352 (10)	0.0018 (9)	0.0134 (9)	0.0029 (9)
C6	0.0213 (9)	0.0165 (10)	0.0352 (10)	0.0021 (8)	0.0135 (8)	0.0016 (9)
C5	0.0219 (9)	0.0162 (10)	0.0350 (10)	0.0020 (8)	0.0135 (8)	0.0023 (8)
C3	0.0220 (9)	0.0182 (10)	0.0357 (10)	0.0022 (8)	0.0129 (8)	0.0037 (8)
C2	0.0214 (9)	0.0168 (10)	0.0355 (10)	0.0025 (8)	0.0134 (9)	0.0028 (9)
C7	0.0215 (9)	0.0174 (9)	0.0382 (10)	0.0019 (8)	0.0126 (8)	0.0003 (9)
C1	0.0211 (9)	0.0164 (9)	0.0356 (10)	0.0022 (8)	0.0138 (8)	0.0015 (8)
O1	0.0224 (11)	0.0196 (11)	0.0428 (13)	0.0022 (9)	0.0094 (10)	−0.0011 (10)
O1W	0.040 (2)	0.069 (3)	0.054 (3)	0.002 (2)	0.023 (2)	0.007 (2)
O2W	0.045 (2)	0.063 (3)	0.042 (3)	0.005 (2)	0.018 (2)	0.000 (2)
O4W	0.127 (5)	0.088 (4)	0.063 (4)	−0.059 (4)	0.055 (4)	−0.023 (3)
O6	0.0245 (18)	0.0215 (19)	0.060 (3)	0.0045 (15)	0.0098 (18)	0.0032 (18)
O3W	0.054 (3)	0.060 (4)	0.085 (4)	−0.004 (2)	0.007 (3)	0.032 (3)
O5	0.0242 (11)	0.0171 (12)	0.0383 (13)	0.0013 (10)	0.0104 (10)	0.0017 (10)
O2	0.0219 (10)	0.0163 (11)	0.0388 (12)	0.0010 (9)	0.0123 (9)	0.0004 (10)
O3	0.0263 (12)	0.0251 (12)	0.0402 (13)	0.0029 (10)	0.0084 (10)	0.0066 (11)
O4	0.029 (2)	0.058 (3)	0.119 (5)	−0.010 (2)	0.006 (3)	0.044 (3)

Geometric parameters (Å, º) top

Zn1—O2W	1.996 (5)	C6—C5	1.387 (7)
Zn1—O5ⁱ	2.002 (3)	C6—H012	0.9300
Zn1—O1W	2.006 (5)	C3—C2	1.385 (7)
Zn1—O2	2.014 (3)	C2—C1	1.400 (6)
Na1—O1	2.262 (4)	C2—H017	0.9300
Na1—O4W	2.290 (6)	C7—O1	1.251 (6)
Na1—O3ⁱⁱ	2.352 (4)	C7—O2	1.271 (6)
Na1—O3ⁱⁱⁱ	2.365 (5)	C7—C1	1.486 (7)
Na1—O3W	2.486 (5)	O1W—H1WA	0.93 (5)
Na1—Na1^iv	3.621 (4)	O1W—H1WB	0.86 (5)
C9—O6	1.250 (6)	O2W—H2WB	0.94 (5)
C9—O5	1.277 (6)	O2W—H2WA	0.93 (5)
C9—C5	1.493 (6)	O4W—H4WA	0.85 (4)
C8—O3	1.233 (6)	O4W—H4WB	1.00 (5)
C8—O4	1.245 (7)	O3W—H3WA	0.85 (5)
C8—C3	1.505 (7)	O3W—H3WB	0.98 (5)
C4—C5	1.394 (7)	O5—Zn1^v	2.002 (3)
C4—C3	1.396 (7)	O3—Na1^vi	2.352 (4)
C4—H008	0.9300	O3—Na1ⁱⁱⁱ	2.365 (5)
C6—C1	1.374 (6)

O2W—Zn1—O5ⁱ	115.16 (19)	C6—C5—C4	118.5 (4)
O2W—Zn1—O1W	113.7 (2)	C6—C5—C9	119.9 (4)
O5ⁱ—Zn1—O1W	110.88 (18)	C4—C5—C9	121.6 (4)
O2W—Zn1—O2	110.30 (19)	C2—C3—C4	119.9 (4)
O5ⁱ—Zn1—O2	96.19 (14)	C2—C3—C8	119.8 (4)
O1W—Zn1—O2	109.20 (18)	C4—C3—C8	120.2 (4)
O1—Na1—O4W	97.5 (2)	C3—C2—C1	120.5 (4)
O1—Na1—O3ⁱⁱ	104.33 (15)	C3—C2—H017	119.8
O4W—Na1—O3ⁱⁱ	88.02 (18)	C1—C2—H017	119.8
O1—Na1—O3ⁱⁱⁱ	114.83 (16)	O1—C7—O2	122.3 (4)
O4W—Na1—O3ⁱⁱⁱ	147.3 (2)	O1—C7—C1	119.2 (4)
O3ⁱⁱ—Na1—O3ⁱⁱⁱ	79.70 (15)	O2—C7—C1	118.5 (4)
O1—Na1—O3W	105.94 (18)	C6—C1—C2	118.4 (4)
O4W—Na1—O3W	91.8 (3)	C6—C1—C7	120.2 (4)
O3ⁱⁱ—Na1—O3W	149.48 (19)	C2—C1—C7	121.4 (4)
O3ⁱⁱⁱ—Na1—O3W	84.2 (2)	C7—O1—Na1	162.9 (3)
O1—Na1—Na1^iv	115.79 (15)	Zn1—O1W—H1WA	120 (7)
O4W—Na1—Na1^iv	121.80 (18)	Zn1—O1W—H1WB	116 (8)
O3ⁱⁱ—Na1—Na1^iv	39.98 (10)	H1WA—O1W—H1WB	104 (7)
O3ⁱⁱⁱ—Na1—Na1^iv	39.72 (10)	Zn1—O2W—H2WB	134 (7)
O3W—Na1—Na1^iv	119.6 (2)	Zn1—O2W—H2WA	127 (7)
O6—C9—O5	121.8 (4)	H2WB—O2W—H2WA	92 (6)
O6—C9—C5	120.3 (4)	Na1—O4W—H4WA	129 (4)
O5—C9—C5	117.9 (4)	Na1—O4W—H4WB	118 (3)
O3—C8—O4	121.8 (5)	H4WA—O4W—H4WB	92 (5)
O3—C8—C3	119.1 (4)	Na1—O3W—H3WA	111 (3)
O4—C8—C3	119.1 (5)	Na1—O3W—H3WB	105 (2)
C5—C4—C3	120.1 (4)	H3WA—O3W—H3WB	89 (6)
C5—C4—H008	119.9	C9—O5—Zn1^v	106.5 (3)
C3—C4—H008	119.9	C7—O2—Zn1	108.7 (3)
C1—C6—C5	122.5 (4)	C8—O3—Na1^vi	132.2 (4)
C1—C6—H012	118.7	C8—O3—Na1ⁱⁱⁱ	125.0 (4)
C5—C6—H012	118.7	Na1^vi—O3—Na1ⁱⁱⁱ	100.30 (15)

C1—C6—C5—C4	−0.2 (8)	O2—C7—C1—C6	172.8 (5)
C1—C6—C5—C9	−178.2 (5)	O1—C7—C1—C2	170.0 (5)
C3—C4—C5—C6	−0.3 (7)	O2—C7—C1—C2	−9.0 (8)
C3—C4—C5—C9	177.6 (5)	O2—C7—O1—Na1	166.7 (9)
O6—C9—C5—C6	0.8 (8)	C1—C7—O1—Na1	−12.3 (16)
O5—C9—C5—C6	179.3 (5)	O4W—Na1—O1—C7	121.7 (13)
O6—C9—C5—C4	−177.1 (5)	O3ⁱⁱ—Na1—O1—C7	−148.4 (13)
O5—C9—C5—C4	1.3 (7)	O3ⁱⁱⁱ—Na1—O1—C7	−63.3 (13)
C5—C4—C3—C2	0.1 (8)	O3W—Na1—O1—C7	27.6 (13)
C5—C4—C3—C8	−177.5 (5)	Na1^iv—Na1—O1—C7	−107.5 (13)
O3—C8—C3—C2	−23.6 (8)	O6—C9—O5—Zn1^v	4.6 (6)
O4—C8—C3—C2	159.3 (6)	C5—C9—O5—Zn1^v	−173.8 (4)
O3—C8—C3—C4	154.0 (5)	O1—C7—O2—Zn1	2.3 (6)
O4—C8—C3—C4	−23.1 (9)	C1—C7—O2—Zn1	−178.7 (4)
C4—C3—C2—C1	0.8 (8)	O2W—Zn1—O2—C7	59.7 (4)
C8—C3—C2—C1	178.3 (5)	O5ⁱ—Zn1—O2—C7	179.4 (3)
C5—C6—C1—C2	1.0 (8)	O1W—Zn1—O2—C7	−65.9 (4)
C5—C6—C1—C7	179.3 (5)	O4—C8—O3—Na1^vi	−82.2 (8)
C3—C2—C1—C6	−1.3 (8)	C3—C8—O3—Na1^vi	100.7 (5)
C3—C2—C1—C7	−179.5 (5)	O4—C8—O3—Na1ⁱⁱⁱ	119.5 (6)
O1—C7—C1—C6	−8.2 (8)	C3—C8—O3—Na1ⁱⁱⁱ	−57.5 (6)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O5^vii	0.93 (5)	2.35 (8)	3.090 (6)	137 (9)
O2W—H2WA···O2^viii	0.93 (5)	2.28 (9)	2.998 (6)	133 (9)
O3W—H3WA···O6	0.85 (5)	2.11 (7)	2.747 (7)	132 (7)
O4W—H4WB···O4^ix	1.00 (5)	1.71 (5)	2.686 (8)	166 (8)
O4W—H4WA···O3W^x	0.85 (4)	2.37 (7)	2.948 (8)	126 (9)

Symmetry codes: (vii) −x+1, y−1, −z+3/2; (viii) −x+1, −y+1, −z+1; (ix) −x+1, −y+2, −z+1; (x) −x+1/2, y−1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[NaZn(C₉H₃O₆)(H₂O)₄]
M_r	367.54
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	293
a, b, c (Å)	23.425 (5), 10.146 (2), 14.427 (3)
β (°)	126.50 (3)
V (Å³)	2756.3 (15)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	1.86
Crystal size (mm)	0.23 × 0.22 × 0.20

Data collection
Diffractometer	Oxford Diffraction Gemini R Ultra diffractometer
Absorption correction	Multi-scan (CrysAlis PRO; Oxford Diffraction, 2007)
T_min, T_max	0.765, 0.876
No. of measured, independent and observed [I > 2σ(I)] reflections	13077, 3348, 2119
R_int	0.056
(sin θ/λ)_max (Å⁻¹)	0.687

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.065, 0.187, 0.99
No. of reflections	3348
No. of parameters	214
No. of restraints	106
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	1.68, −0.79

Computer programs: CrysAlis PRO (Oxford Diffraction, 2007), CrysAlis RED (Oxford Diffraction, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1998).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O5ⁱ	0.93 (5)	2.35 (8)	3.090 (6)	137 (9)
O2W—H2WA···O2ⁱⁱ	0.93 (5)	2.28 (9)	2.998 (6)	133 (9)
O3W—H3WA···O6	0.85 (5)	2.11 (7)	2.747 (7)	132 (7)
O4W—H4WB···O4ⁱⁱⁱ	1.00 (5)	1.71 (5)	2.686 (8)	166 (8)
O4W—H4WA···O3W^iv	0.85 (4)	2.37 (7)	2.948 (8)	126 (9)

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

Acknowledgements

We thank Jilin Agricultural Science and Technology College for support.

References

Brandenburg, K. (1998). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Chui, S. S. Y., Siu, A. & Williams, I. D. (1999). Acta Cryst. C55, 194–196. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
Majumder, A., Shit, S., Choudhury, C. R., Batten, S. R., Pilet, G., Daro, N., Sutter, J.-P., Chattopadhyay, N. & Mitra, S. (2005). Inorg. Chim. Acta, 358, 3855–3864. Web of Science CSD CrossRef CAS Google Scholar
Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar