catena-Poly[[[aqua­(5-nitro­benzene-1,2,3-tricarboxyl­ato-κO1)nickel(II)]-di-μ-aqua-[diaqua­sodium]-di-μ-aqua] tetra­hydrate]

Tan, Z.-D.; Yi, B.

doi:10.1107/S1600536810006872

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 3| March 2010| Page m342

doi:10.1107/S1600536810006872

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catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-κO¹)nickel(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]

Zheng-De Tan ^a ^* and Bing Yi ^a

^aCollege of Chemistry and Chemical Engineering, Hunan Institute of Engineering, Xiang Tan 411104, People's Republic of China
^*Correspondence e-mail: tzd0517@163.com

(Received 21 January 2010; accepted 23 February 2010; online 27 February 2010)

In the title complex, {[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O}_n, the Ni^II atom has a distorted octahedral coordination, defined by five O atoms from five water molecules and one O atom from one 5-nitrobenzene-1,2,3-tricarboxylate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water molecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connected by strong O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules into a three-dimensional network.

Related literature

For related structures, see: Ding & Zhao (2010 ); Li et al. (2006 ).

Experimental

Crystal data

[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O
M_r = 531.99
Triclinic, $[P \overline 1]$
a = 6.7005 (6) Å
b = 13.161 (4) Å
c = 13.586 (4) Å
α = 63.415 (6)°
β = 79.076 (6)°
γ = 81.857 (6)°
V = 1049.8 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.04 mm⁻¹
T = 296 K
0.32 × 0.30 × 0.21 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2005 ) T_min = 0.733, T_max = 0.812
5287 measured reflections
3702 independent reflections
3115 reflections with I > 2σ(I)
R_int = 0.025

Refinement

R[F² > 2σ(F²)] = 0.052
wR(F²) = 0.172
S = 0.82
3702 reflections
280 parameters
33 restraints
H-atom parameters constrained
Δρ_max = 0.85 e Å⁻³
Δρ_min = −1.02 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O8W—H16W⋯O6Wⁱ	0.84	2.07	2.876 (4)	161
O8W—H15W⋯O2ⁱⁱ	0.84	2.06	2.835 (4)	153
O7W—H13W⋯O10Wⁱⁱⁱ	0.84	1.93	2.748 (4)	163
O7W—H14W⋯O1ⁱⁱ	0.84	1.90	2.731 (4)	172
O10W—H20W⋯O6	0.84	1.92	2.735 (5)	165
O10W—H19W⋯O9W	0.84	2.01	2.813 (4)	160
O9W—H18W⋯O3^iv	0.84	1.99	2.802 (4)	161
O9W—H17W⋯O4	0.84	1.89	2.734 (4)	176
O11W—H22W⋯O7W	0.84	1.85	2.676 (4)	168
O11W—H21W⋯O10W^v	0.84	1.95	2.784 (4)	173
O1W—H2W⋯O4^vi	0.84	1.89	2.721 (3)	172
O1W—H1W⋯O9W^v	0.84	1.86	2.685 (4)	168
O3W—H6W⋯O8W	0.84	1.85	2.660 (4)	162
O3W—H5W⋯O2^vi	0.84	1.97	2.783 (4)	162
O2W—H4W⋯O3^vi	0.84	1.83	2.657 (3)	170
O2W—H3W⋯O4	0.84	2.00	2.826 (4)	168
O4W—H7W⋯O6	0.84	1.84	2.655 (4)	163
O4W—H8W⋯O7W	0.84	2.02	2.801 (4)	154
O6W—H11W⋯O8W	0.84	2.09	2.900 (5)	161
O6W—H12W⋯O1^vii	0.84	2.11	2.919 (4)	160
O5W—H9W⋯O3^vi	0.84	2.25	2.935 (4)	139
O5W—H10W⋯O2^viii	0.84	2.18	2.913 (5)	145
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) x, y+1, z; (iii) -x+1, -y+1, -z+2; (iv) x-1, y, z; (v) x+1, y, z; (vi) -x+2, -y+1, -z+1; (vii) x-1, y+1, z; (viii) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2004 ); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810006872/si2240sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810006872/si2240Isup2.hkl

checkCIF report

Comment top

It is well-known that carboxylate ligands play an important role in coordination chemistry. They usually adopt diverse binding modes as terminal monodentate, chelating to one metal center, bridging to two metal centers (Ding et al., 2010; Li et al., 2006). In the present paper, we synthesized a novel green complex {[NiNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n based on 5-nitrobenzene-1,2,3-tricarboxylate ligand. It is isostructural to the copper compound reported by Ding & Zhao, (2010).

The coordination geometries of Ni and Na centers are very close to the values observed in the {[CuNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n compound, and also the hydrogen bonds in both structures are very similar (Fig.1). The Ni and Na atoms are linked by water bridges, forming an infinite chain (Fig.2). They are arrayed by turns with the distance of 3.4258 (21)Å and 3.7373 (20)Å between Ni and Na. The chains are connected by strong O—H···O hydrogen bonds involving the coordinated and uncoordinated water molecules into a three-dimensional network (Table 1). In the {[CuNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n compound, the six Cu—O bond lengths range between 2.028 (2) and 2.098 (3) Å. It is a rare case that all Cu—O distances are above 2.00 Å, which may be explained by the influence of the Na—O—Cu bridges. But in the title compound, the Ni—O bond lengths range between 2.032 (2) and 2.106 (3) Å and represent normal values.

Related literature top

For related structures see: Ding et al. (2010); Li et al. (2006).

Experimental top

A mixture of 5-nitrobenzene-1,2,3-tricarboxylate ligand (0.1 mmol), Ni(NO₃)₂ (0.1 mmol) and H₂O (20 ml) was treated with a solution of NaOH until the pH about 7-8. and left to stand at room temperature for about a few weeks,then the green crystals were obtained.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. A section of the structure of the title compound, showing the atomic numbering scheme with 30% probability displacement ellipsoids. [Symmetry codes: (i) x-1, y, z.]
	Fig. 2. The chain of the title compound along the b axis (the uncoordinated water molecules have been omitted for clarity).

catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato- κO¹)nickel(II)]-di-µ-aqua-[diaquasodium]-di-µ-aqua] tetrahydrate] top

Crystal data top

[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O	Z = 2
M_r = 531.99	F(000) = 552
Triclinic, P1	D_x = 1.683 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.7005 (6) Å	Cell parameters from 2858 reflections
b = 13.161 (4) Å	θ = 3.1–28.2°
c = 13.586 (4) Å	µ = 1.04 mm⁻¹
α = 63.415 (6)°	T = 296 K
β = 79.076 (6)°	Block, green
γ = 81.857 (6)°	0.32 × 0.30 × 0.21 mm
V = 1049.8 (4) Å³

Data collection top

Bruker APEXII area-detector diffractometer	3702 independent reflections
Radiation source: fine-focus sealed tube	3115 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.025
ϕ and ω scan	θ_max = 25.2°, θ_min = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2005)	h = −8→7
T_min = 0.733, T_max = 0.812	k = −11→15
5287 measured reflections	l = −16→15

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.172	H-atom parameters constrained
S = 0.82	w = 1/[σ²(F_o²) + (0.162P)² + 0.8519P] where P = (F_o² + 2F_c²)/3
3702 reflections	(Δ/σ)_max = 0.001
280 parameters	Δρ_max = 0.85 e Å⁻³
33 restraints	Δρ_min = −1.02 e Å⁻³

Crystal data top

[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O	γ = 81.857 (6)°
M_r = 531.99	V = 1049.8 (4) Å³
Triclinic, P1	Z = 2
a = 6.7005 (6) Å	Mo Kα radiation
b = 13.161 (4) Å	µ = 1.04 mm⁻¹
c = 13.586 (4) Å	T = 296 K
α = 63.415 (6)°	0.32 × 0.30 × 0.21 mm
β = 79.076 (6)°

Data collection top

Bruker APEXII area-detector diffractometer	3702 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 2005)	3115 reflections with I > 2σ(I)
T_min = 0.733, T_max = 0.812	R_int = 0.025
5287 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.052	33 restraints
wR(F²) = 0.172	H-atom parameters constrained
S = 0.82	Δρ_max = 0.85 e Å⁻³
3702 reflections	Δρ_min = −1.02 e Å⁻³
280 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
C1	0.9163 (6)	0.0491 (3)	0.7521 (3)	0.0269 (8)
C2	0.8515 (5)	0.1016 (3)	0.8336 (3)	0.0228 (7)
C3	0.7844 (6)	0.0308 (3)	0.9447 (3)	0.0252 (8)
H3	0.7885	−0.0476	0.9691	0.030*
C4	0.7123 (5)	0.0780 (3)	1.0174 (3)	0.0248 (8)
C5	0.7116 (5)	0.1939 (3)	0.9862 (3)	0.0252 (8)
H5	0.6619	0.2237	1.0372	0.030*
C6	0.7864 (5)	0.2642 (3)	0.8773 (3)	0.0232 (8)
C7	0.8516 (5)	0.2191 (3)	0.7993 (3)	0.0226 (8)
C8	0.9163 (6)	0.2966 (3)	0.6771 (3)	0.0232 (7)
C9	0.7955 (6)	0.3896 (3)	0.8445 (3)	0.0247 (8)
N1	0.6278 (5)	0.0040 (3)	1.1322 (2)	0.0304 (7)
Na1	0.4252 (3)	0.71871 (14)	0.62371 (12)	0.0367 (4)
Ni1	0.95998 (7)	0.61127 (4)	0.67564 (3)	0.0235 (2)
O1	1.0145 (5)	−0.0455 (2)	0.7877 (2)	0.0384 (7)
O2	0.8649 (4)	0.1028 (2)	0.6566 (2)	0.0344 (7)
O3	1.0990 (4)	0.2896 (2)	0.6371 (2)	0.0292 (6)
O4	0.7775 (4)	0.3631 (2)	0.62481 (19)	0.0278 (6)
O5	0.9363 (4)	0.4410 (2)	0.7681 (2)	0.0252 (6)
O6	0.6652 (5)	0.4346 (2)	0.8957 (2)	0.0395 (7)
O7	0.5232 (5)	0.0489 (3)	1.1881 (2)	0.0468 (8)
O8	0.6619 (5)	−0.0989 (2)	1.1654 (2)	0.0440 (8)
O5W	0.5203 (6)	0.8170 (3)	0.4318 (3)	0.0609 (10)
H10W	0.4216	0.8129	0.4041	0.091*
H9W	0.6299	0.8222	0.3885	0.091*
O6W	0.3273 (5)	0.8978 (3)	0.6356 (3)	0.0474 (8)
H12W	0.2531	0.9289	0.6730	0.071*
H11W	0.4516	0.9004	0.6361	0.071*
O4W	0.6914 (4)	0.6549 (2)	0.7614 (2)	0.0344 (6)
H8W	0.7288	0.6999	0.7818	0.052*
H7W	0.6762	0.5899	0.8144	0.052*
O2W	0.7733 (4)	0.5951 (2)	0.5785 (2)	0.0286 (6)
H3W	0.7918	0.5254	0.5944	0.043*
H4W	0.7993	0.6346	0.5096	0.043*
O3W	1.0007 (5)	0.7794 (2)	0.5696 (2)	0.0362 (7)
H5W	1.0372	0.8014	0.5009	0.054*
H6W	0.9399	0.8326	0.5838	0.054*
O1W	1.2328 (4)	0.5797 (2)	0.5931 (2)	0.0294 (6)
H1W	1.2943	0.5159	0.6247	0.044*
H2W	1.2408	0.5999	0.5245	0.044*
O11W	1.1438 (4)	0.6187 (2)	0.7811 (2)	0.0317 (6)
H21W	1.1856	0.5531	0.8238	0.048*
H22W	1.0735	0.6526	0.8170	0.048*
O9W	0.3769 (4)	0.3668 (2)	0.7147 (2)	0.0367 (7)
H17W	0.5013	0.3639	0.6899	0.055*
H18W	0.3103	0.3295	0.6970	0.055*
O10W	0.2681 (5)	0.3942 (3)	0.9122 (2)	0.0438 (8)
H19W	0.2749	0.3769	0.8592	0.066*
H20W	0.3833	0.4069	0.9185	0.066*
O7W	0.8872 (5)	0.7396 (3)	0.8714 (3)	0.0496 (8)
H14W	0.9288	0.8041	0.8520	0.074*
H13W	0.8565	0.7050	0.9407	0.074*
O8W	0.7517 (5)	0.9492 (3)	0.5860 (2)	0.0424 (7)
H15W	0.7651	0.9794	0.6271	0.064*
H16W	0.7585	0.9966	0.5189	0.064*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.029 (2)	0.0227 (18)	0.0295 (18)	−0.0097 (16)	−0.0020 (15)	−0.0105 (15)
C2	0.0208 (18)	0.0251 (18)	0.0231 (16)	−0.0018 (14)	−0.0042 (14)	−0.0103 (14)
C3	0.0242 (19)	0.0216 (17)	0.0278 (17)	−0.0024 (15)	−0.0073 (14)	−0.0072 (15)
C4	0.0229 (19)	0.0274 (19)	0.0193 (16)	−0.0061 (15)	−0.0060 (14)	−0.0035 (15)
C5	0.024 (2)	0.0290 (19)	0.0247 (17)	−0.0032 (15)	−0.0048 (14)	−0.0123 (15)
C6	0.0212 (18)	0.0256 (18)	0.0238 (16)	−0.0049 (15)	−0.0054 (14)	−0.0097 (15)
C7	0.0190 (18)	0.0250 (18)	0.0237 (17)	−0.0026 (14)	−0.0076 (14)	−0.0083 (14)
C8	0.027 (2)	0.0215 (17)	0.0224 (16)	−0.0049 (15)	−0.0060 (14)	−0.0086 (14)
C9	0.027 (2)	0.0268 (18)	0.0219 (16)	−0.0035 (16)	−0.0058 (15)	−0.0102 (15)
N1	0.0286 (18)	0.0352 (19)	0.0218 (15)	−0.0069 (15)	−0.0034 (13)	−0.0059 (14)
Na1	0.0375 (10)	0.0382 (9)	0.0305 (8)	−0.0049 (7)	−0.0042 (7)	−0.0110 (7)
Ni1	0.0249 (3)	0.0215 (3)	0.0229 (3)	−0.0038 (2)	−0.0044 (2)	−0.0076 (2)
O1	0.0469 (19)	0.0283 (14)	0.0402 (15)	0.0007 (13)	−0.0059 (13)	−0.0159 (13)
O2	0.0445 (18)	0.0354 (15)	0.0258 (13)	−0.0081 (13)	−0.0083 (12)	−0.0128 (12)
O3	0.0239 (14)	0.0325 (14)	0.0257 (12)	−0.0051 (11)	−0.0023 (10)	−0.0073 (11)
O4	0.0290 (15)	0.0288 (13)	0.0224 (12)	−0.0009 (11)	−0.0094 (10)	−0.0062 (11)
O5	0.0265 (14)	0.0211 (12)	0.0263 (12)	−0.0054 (10)	−0.0020 (10)	−0.0082 (10)
O6	0.0418 (18)	0.0303 (15)	0.0416 (16)	−0.0056 (13)	0.0098 (13)	−0.0165 (13)
O7	0.051 (2)	0.0521 (19)	0.0291 (14)	−0.0078 (16)	0.0046 (14)	−0.0131 (14)
O8	0.053 (2)	0.0287 (16)	0.0350 (15)	−0.0074 (14)	−0.0063 (14)	0.0010 (13)
O5W	0.054 (2)	0.068 (2)	0.0413 (17)	0.0225 (19)	−0.0073 (15)	−0.0142 (17)
O6W	0.0432 (19)	0.059 (2)	0.0490 (17)	−0.0078 (16)	−0.0051 (14)	−0.0310 (16)
O4W	0.0354 (16)	0.0297 (14)	0.0360 (14)	−0.0046 (12)	−0.0022 (12)	−0.0127 (12)
O2W	0.0330 (15)	0.0268 (13)	0.0237 (12)	−0.0077 (11)	−0.0051 (10)	−0.0068 (11)
O3W	0.0505 (19)	0.0242 (13)	0.0279 (13)	−0.0034 (12)	−0.0011 (12)	−0.0073 (11)
O1W	0.0297 (15)	0.0306 (14)	0.0255 (12)	−0.0022 (11)	−0.0057 (11)	−0.0093 (11)
O11W	0.0368 (16)	0.0323 (14)	0.0285 (13)	−0.0041 (12)	−0.0066 (11)	−0.0142 (11)
O9W	0.0270 (15)	0.0408 (16)	0.0450 (16)	0.0012 (13)	−0.0077 (12)	−0.0208 (14)
O10W	0.0432 (19)	0.0519 (18)	0.0344 (15)	−0.0023 (15)	−0.0077 (13)	−0.0164 (14)
O7W	0.074 (2)	0.0348 (16)	0.0421 (16)	−0.0121 (16)	0.0063 (16)	−0.0217 (14)
O8W	0.051 (2)	0.0383 (16)	0.0436 (16)	−0.0027 (14)	−0.0094 (14)	−0.0216 (14)

Geometric parameters (Å, º) top

C1—O1	1.251 (5)	Ni1—O1W	2.048 (3)
C1—O2	1.257 (4)	Ni1—O3W	2.053 (3)
C1—C2	1.520 (5)	Ni1—O2W	2.074 (3)
C2—C3	1.397 (5)	Ni1—O11W	2.100 (3)
C2—C7	1.402 (5)	Ni1—O4W	2.106 (3)
C3—C4	1.371 (5)	Ni1—Na1ⁱⁱ	3.4258 (18)
C3—H3	0.9300	O5W—H10W	0.8400
C4—C5	1.387 (5)	O5W—H9W	0.8400
C4—N1	1.471 (4)	O6W—H12W	0.8400
C5—C6	1.386 (5)	O6W—H11W	0.8400
C5—H5	0.9300	O4W—H8W	0.8400
C6—C7	1.407 (5)	O4W—H7W	0.8400
C6—C9	1.512 (5)	O2W—H3W	0.8400
C7—C8	1.523 (5)	O2W—H4W	0.8400
C8—O3	1.250 (4)	O3W—Na1ⁱⁱ	2.982 (3)
C8—O4	1.265 (4)	O3W—H5W	0.8400
C9—O6	1.261 (5)	O3W—H6W	0.8400
C9—O5	1.268 (4)	O1W—Na1ⁱⁱ	2.595 (3)
N1—O8	1.222 (4)	O1W—H1W	0.8400
N1—O7	1.225 (5)	O1W—H2W	0.8400
Na1—O5W	2.337 (4)	O11W—Na1ⁱⁱ	2.553 (3)
Na1—O6W	2.424 (4)	O11W—H21W	0.8400
Na1—O11Wⁱ	2.553 (3)	O11W—H22W	0.8400
Na1—O1Wⁱ	2.595 (3)	O9W—H17W	0.8401
Na1—O4W	2.611 (3)	O9W—H18W	0.8400
Na1—O2W	2.782 (3)	O10W—H19W	0.8400
Na1—O3Wⁱ	2.982 (3)	O10W—H20W	0.8401
Na1—Ni1ⁱ	3.4258 (18)	O7W—H14W	0.8400
Na1—H10W	2.6736	O7W—H13W	0.8400
Na1—H11W	2.5038	O8W—H15W	0.8400
Ni1—O5	2.032 (2)	O8W—H16W	0.8400

O1—C1—O2	126.1 (4)	O1Wⁱ—Na1—H11W	153.1
O1—C1—C2	116.1 (3)	O4W—Na1—H11W	78.9
O2—C1—C2	117.8 (3)	O2W—Na1—H11W	120.7
C3—C2—C7	119.5 (3)	O3Wⁱ—Na1—H11W	93.9
C3—C2—C1	118.8 (3)	Ni1ⁱ—Na1—H11W	120.3
C7—C2—C1	121.7 (3)	H10W—Na1—H11W	96.2
C4—C3—C2	119.4 (3)	O5—Ni1—O1W	89.70 (11)
C4—C3—H3	120.3	O5—Ni1—O3W	174.16 (10)
C2—C3—H3	120.3	O1W—Ni1—O3W	85.19 (11)
C3—C4—C5	122.4 (3)	O5—Ni1—O2W	85.04 (10)
C3—C4—N1	119.1 (3)	O1W—Ni1—O2W	97.31 (10)
C5—C4—N1	118.5 (3)	O3W—Ni1—O2W	92.77 (11)
C6—C5—C4	118.6 (3)	O5—Ni1—O11W	91.88 (10)
C6—C5—H5	120.7	O1W—Ni1—O11W	83.66 (10)
C4—C5—H5	120.7	O3W—Ni1—O11W	90.39 (11)
C5—C6—C7	120.3 (3)	O2W—Ni1—O11W	176.77 (10)
C5—C6—C9	118.7 (3)	O5—Ni1—O4W	93.85 (11)
C7—C6—C9	121.0 (3)	O1W—Ni1—O4W	175.04 (11)
C2—C7—C6	119.6 (3)	O3W—Ni1—O4W	91.42 (11)
C2—C7—C8	119.3 (3)	O2W—Ni1—O4W	86.46 (11)
C6—C7—C8	121.0 (3)	O11W—Ni1—O4W	92.76 (11)
O3—C8—O4	125.7 (3)	O5—Ni1—Na1ⁱⁱ	118.34 (8)
O3—C8—C7	118.2 (3)	O1W—Ni1—Na1ⁱⁱ	49.05 (8)
O4—C8—C7	116.1 (3)	O3W—Ni1—Na1ⁱⁱ	59.89 (9)
O6—C9—O5	125.0 (3)	O2W—Ni1—Na1ⁱⁱ	134.65 (8)
O6—C9—C6	117.9 (3)	O11W—Ni1—Na1ⁱⁱ	47.99 (8)
O5—C9—C6	117.1 (3)	O4W—Ni1—Na1ⁱⁱ	126.02 (9)
O8—N1—O7	123.8 (3)	C9—O5—Ni1	128.6 (2)
O8—N1—C4	118.2 (3)	Na1—O5W—H10W	104.5
O7—N1—C4	118.0 (3)	Na1—O5W—H9W	134.6
O5W—Na1—O6W	90.09 (13)	H10W—O5W—H9W	111.2
O5W—Na1—O11Wⁱ	146.60 (14)	Na1—O6W—H12W	144.4
O6W—Na1—O11Wⁱ	91.75 (11)	Na1—O6W—H11W	85.6
O5W—Na1—O1Wⁱ	90.25 (13)	H12W—O6W—H11W	111.8
O6W—Na1—O1Wⁱ	133.78 (12)	Ni1—O4W—Na1	104.27 (11)
O11Wⁱ—Na1—O1Wⁱ	65.02 (9)	Ni1—O4W—H8W	103.8
O5W—Na1—O4W	121.28 (13)	Na1—O4W—H8W	122.0
O6W—Na1—O4W	94.00 (11)	Ni1—O4W—H7W	96.9
O11Wⁱ—Na1—O4W	91.85 (10)	Na1—O4W—H7W	114.2
O1Wⁱ—Na1—O4W	124.33 (10)	H8W—O4W—H7W	111.5
O5W—Na1—O2W	75.95 (10)	Ni1—O2W—Na1	99.62 (11)
O6W—Na1—O2W	139.81 (12)	Ni1—O2W—H3W	101.7
O11Wⁱ—Na1—O2W	120.48 (10)	Na1—O2W—H3W	129.8
O1Wⁱ—Na1—O2W	84.54 (9)	Ni1—O2W—H4W	116.3
O4W—Na1—O2W	64.05 (9)	Na1—O2W—H4W	99.2
O5W—Na1—O3Wⁱ	84.67 (11)	H3W—O2W—H4W	110.8
O6W—Na1—O3Wⁱ	74.83 (10)	Ni1—O3W—Na1ⁱⁱ	83.57 (10)
O11Wⁱ—Na1—O3Wⁱ	63.77 (9)	Ni1—O3W—H5W	122.1
O1Wⁱ—Na1—O3Wⁱ	59.21 (9)	Na1ⁱⁱ—O3W—H5W	93.9
O4W—Na1—O3Wⁱ	152.24 (10)	Ni1—O3W—H6W	122.3
O2W—Na1—O3Wⁱ	138.79 (10)	Na1ⁱⁱ—O3W—H6W	114.5
O5W—Na1—Ni1ⁱ	109.49 (12)	H5W—O3W—H6W	111.2
O6W—Na1—Ni1ⁱ	101.28 (9)	Ni1—O1W—Na1ⁱⁱ	94.35 (11)
O11Wⁱ—Na1—Ni1ⁱ	37.68 (6)	Ni1—O1W—H1W	117.0
O1Wⁱ—Na1—Ni1ⁱ	36.60 (6)	Na1ⁱⁱ—O1W—H1W	104.3
O4W—Na1—Ni1ⁱ	126.75 (8)	Ni1—O1W—H2W	117.9
O2W—Na1—Ni1ⁱ	118.89 (8)	Na1ⁱⁱ—O1W—H2W	108.9
O3Wⁱ—Na1—Ni1ⁱ	36.54 (6)	H1W—O1W—H2W	111.6
O5W—Na1—H10W	17.7	Ni1—O11W—Na1ⁱⁱ	94.33 (10)
O6W—Na1—H10W	93.1	Ni1—O11W—H21W	110.8
O11Wⁱ—Na1—H10W	129.0	Na1ⁱⁱ—O11W—H21W	110.9
O1Wⁱ—Na1—H10W	75.6	Ni1—O11W—H22W	107.3
O4W—Na1—H10W	138.2	Na1ⁱⁱ—O11W—H22W	120.5
O2W—Na1—H10W	84.7	H21W—O11W—H22W	111.5
O3Wⁱ—Na1—H10W	68.8	H17W—O9W—H18W	111.5
Ni1ⁱ—Na1—H10W	91.8	H19W—O10W—H20W	111.2
O5W—Na1—H11W	87.5	H14W—O7W—H13W	111.9
O6W—Na1—H11W	19.5	H15W—O8W—H16W	111.9
O11Wⁱ—Na1—H11W	104.4

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O8W—H16W···O6Wⁱⁱⁱ	0.84	2.07	2.876 (4)	161
O8W—H15W···O2^iv	0.84	2.06	2.835 (4)	153
O7W—H13W···O10W^v	0.84	1.93	2.748 (4)	163
O7W—H14W···O1^iv	0.84	1.90	2.731 (4)	172
O10W—H20W···O6	0.84	1.92	2.735 (5)	165
O10W—H19W···O9W	0.84	2.01	2.813 (4)	160
O9W—H18W···O3ⁱ	0.84	1.99	2.802 (4)	161
O9W—H17W···O4	0.84	1.89	2.734 (4)	176
O11W—H22W···O7W	0.84	1.85	2.676 (4)	168
O11W—H21W···O10Wⁱⁱ	0.84	1.95	2.784 (4)	173
O1W—H2W···O4^vi	0.84	1.89	2.721 (3)	172
O1W—H1W···O9Wⁱⁱ	0.84	1.86	2.685 (4)	168
O3W—H6W···O8W	0.84	1.85	2.660 (4)	162
O3W—H5W···O2^vi	0.84	1.97	2.783 (4)	162
O2W—H4W···O3^vi	0.84	1.83	2.657 (3)	170
O2W—H3W···O4	0.84	2.00	2.826 (4)	168
O4W—H7W···O6	0.84	1.84	2.655 (4)	163
O4W—H8W···O7W	0.84	2.02	2.801 (4)	154
O6W—H11W···O8W	0.84	2.09	2.900 (5)	161
O6W—H12W···O1^vii	0.84	2.11	2.919 (4)	160
O5W—H9W···O3^vi	0.84	2.25	2.935 (4)	139
O5W—H10W···O2^viii	0.84	2.18	2.913 (5)	145

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

Experimental details

Crystal data
Chemical formula	[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O
M_r	531.99
Crystal system, space group	Triclinic, P1
Temperature (K)	296
a, b, c (Å)	6.7005 (6), 13.161 (4), 13.586 (4)
α, β, γ (°)	63.415 (6), 79.076 (6), 81.857 (6)
V (Å³)	1049.8 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.04
Crystal size (mm)	0.32 × 0.30 × 0.21

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 2005)
T_min, T_max	0.733, 0.812
No. of measured, independent and observed [I > 2σ(I)] reflections	5287, 3702, 3115
R_int	0.025
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.052, 0.172, 0.82
No. of reflections	3702
No. of parameters	280
No. of restraints	33
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.85, −1.02

Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O8W—H16W···O6Wⁱ	0.84	2.07	2.876 (4)	160.6
O8W—H15W···O2ⁱⁱ	0.84	2.06	2.835 (4)	153.1
O7W—H13W···O10Wⁱⁱⁱ	0.84	1.93	2.748 (4)	163.4
O7W—H14W···O1ⁱⁱ	0.84	1.90	2.731 (4)	171.8
O10W—H20W···O6	0.84	1.92	2.735 (5)	164.9
O10W—H19W···O9W	0.84	2.01	2.813 (4)	160.0
O9W—H18W···O3^iv	0.84	1.99	2.802 (4)	161.2
O9W—H17W···O4	0.84	1.89	2.734 (4)	176.4
O11W—H22W···O7W	0.84	1.85	2.676 (4)	168.0
O11W—H21W···O10W^v	0.84	1.95	2.784 (4)	173.0
O1W—H2W···O4^vi	0.84	1.89	2.721 (3)	171.9
O1W—H1W···O9W^v	0.84	1.86	2.685 (4)	167.6
O3W—H6W···O8W	0.84	1.85	2.660 (4)	161.6
O3W—H5W···O2^vi	0.84	1.97	2.783 (4)	162.0
O2W—H4W···O3^vi	0.84	1.83	2.657 (3)	170.1
O2W—H3W···O4	0.84	2.00	2.826 (4)	168.1
O4W—H7W···O6	0.84	1.84	2.655 (4)	162.6
O4W—H8W···O7W	0.84	2.02	2.801 (4)	153.5
O6W—H11W···O8W	0.84	2.09	2.900 (5)	161.3
O6W—H12W···O1^vii	0.84	2.11	2.919 (4)	160.1
O5W—H9W···O3^vi	0.84	2.25	2.935 (4)	139.3
O5W—H10W···O2^viii	0.84	2.18	2.913 (5)	145.1

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

Acknowledgements

The authors acknowledge the Scientific Research Project of Hunan Department of Education (No. 09c259) for support of this work.

References

Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Ding, Y.-J. & Zhao, C.-X. (2010). Acta Cryst. E66, m132–m133. Web of Science CSD CrossRef IUCr Journals Google Scholar
Li, Z.-F., Wang, C.-X., Wang, P. & Zhang, Q.-H. (2006). Acta Cryst. E62, m914–m915. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (2005). 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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