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

Ding, Y.-J.; Zhao, C.-X.

doi:10.1107/S1600536810000401

metal-organic compounds

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 66| Part 2| February 2010| Pages m132-m133

https://doi.org/10.1107/S1600536810000401

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

Yong-Jie Ding ^a and Chun-Xiang Zhao ^b ^*

^aDepartment of Chemistry, East China Normal University, Shanghai 200062, People's Republic of China, and ^bDepartment of Chemistry, Zhoukou Normal University, Zhoukou 466001, People's Republic of China
^*Correspondence e-mail: chunxiangzhao@163.com

(Received 25 December 2009; accepted 5 January 2010; online 9 January 2010)

In the heteronuclear coordination polymer, {[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O}_n, the Cu^II atom is coordinated by six O atoms from five water molecules and one 5-nitrobenzene-1,2,3-tricarboxylate ligand in a slightly distorted octahedral geometry. The Na⁺ cation is surrounded by six water molecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules connect the chains into a three-dimensional network.

Related literature

For general background to the possible applications of metal coordination polymers as microporous hosts for absorption or as catalytic materials, see: Cheng et al. (2004 ); Yaghi & Li (1995 ).

Experimental

Crystal data

[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O
M_r = 536.82
Triclinic, $[P \overline 1]$
a = 6.6480 (13) Å
b = 13.124 (3) Å
c = 13.531 (3) Å
α = 63.46 (3)°
β = 79.17 (4)°
γ = 82.13 (3)°
V = 1035.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.17 mm⁻¹
T = 295 K
0.27 × 0.26 × 0.21 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2005 ) T_min = 0.743, T_max = 0.791
5466 measured reflections
3696 independent reflections
3113 reflections with I > 2σ(I)
R_int = 0.021

Refinement

R[F² > 2σ(F²)] = 0.047
wR(F²) = 0.133
S = 1.02
3696 reflections
280 parameters
H-atom parameters constrained
Δρ_max = 0.76 e Å⁻³
Δρ_min = −0.76 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H2W⋯O4ⁱ	0.84	2.06	2.883 (4)	166
O1W—H1W⋯O5ⁱⁱ	0.84	2.19	2.932 (4)	148
O2W—H4W⋯O3	0.84	1.94	2.706 (4)	151
O2W—H3W⋯O6Wⁱⁱⁱ	0.84	1.91	2.741 (4)	169
O3W—H6W⋯O4Wⁱ	0.84	2.09	2.863 (4)	153
O3W—H5W⋯O4	0.84	2.01	2.825 (4)	164
O4W—H8W⋯O3W^iv	0.84	2.11	2.868 (4)	149
O4W—H7W⋯O3^v	0.84	2.12	2.902 (4)	155
O5W—H10W⋯O1ⁱⁱⁱ	0.84	2.60	3.174 (4)	127
O5W—H10W⋯O5	0.84	2.05	2.778 (4)	145
O5W—H9W⋯O6^vi	0.84	1.89	2.711 (3)	166
O6W—H12W⋯O5W	0.84	2.00	2.810 (4)	161
O6W—H11W⋯O7^vi	0.84	1.91	2.716 (4)	160
O7W—H14W⋯O2W^v	0.84	1.98	2.788 (4)	160
O7W—H13W⋯O7	0.84	1.87	2.657 (4)	156
O8W—H16W⋯O2W^v	0.84	1.85	2.679 (4)	171
O8W—H15W⋯O6W	0.84	1.95	2.774 (4)	167
O9W—H18W⋯O5ⁱ	0.84	1.82	2.647 (4)	168
O9W—H17W⋯O6	0.84	1.99	2.823 (3)	175
O10W—H19W⋯O5W	0.84	1.85	2.674 (4)	166
O10W—H20W⋯O6ⁱ	0.84	1.88	2.704 (3)	167
O11W—H22W⋯O3W^v	0.84	1.85	2.670 (4)	165
O11W—H21W⋯O4ⁱ	0.84	1.98	2.776 (4)	158
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) -x+2, -y+2, -z+1; (iii) -x+1, -y+1, -z+2; (iv) x+1, y+1, z; (v) x, y+1, z; (vi) x+1, y, z.

Data collection: APEX2 (Bruker, 2005 ); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810000401/ng2712sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810000401/ng2712Isup2.hkl

checkCIF report

Comment top

Recently, there has been much interest in the synthesis of metal coordination polymers, due to their possible application as microporous hosts for absorption or even as catalytic materials (Yaghi et al., 1995; Cheng et al.,2004). Herein, we report a new heteronuclear metal coordination polymer with the tricarboxylates, 5-Nitrobenzene-1,2,3-tricarboxylicacid (NBA) as the ligand, the copper (II) and sodium (I) as the metal ions.

As can be seen from the crystal structure in Fig.1, Cu and Na are connected via µ-O, O' coordination of water molecules, which structure is repeating unit along a axis, forming one-dimensional infinite chains, which chains along the a axis is built up through coordination between NBA, a part of water molecules and Cu(II), Na(I) (Fig.2). Through the forming of hydrogen bonds between chains and water molecules of the interchain, three-dimensional supermolecular structure is formed. The different chains are linked by an extensive hydrogen-bonding network (Table 1, Fig.3), through oxygen atoms of carboxylate and water molecule. Each of the water molecules has at least one hydrogen-bonding interaction, this leads to the formation of a stable three dimensional supramolecular structure.

Related literature top

For general background to the possible applications of metal coordination polymers as microporous hosts for absorption or as catalytic materials, see: Cheng et al. (2004); Yaghi & Li (1995).

Experimental top

5-Nitrobenzene-1,2,3-tricarboxylic acid (0.051 g, 0.2 mmol) was added to a solution of copper chloride (0.027 g, 0.2 mmol) (20 mL), the resulting mixture was treated with a solution of NaOH until the pH value come rise to be about 8.The mixture was then stirred continuously for 6 h, and the filtrate was kept in conical flask for about 30 days and blue block crystals were obtained from the solution, dried in vacuum. Yield: 67.6%. Crystal of the title compound suitable for single-crystal X-ray diffraction was selected directly from the sample as prepared.

Structure description top

For general background to the possible applications of metal coordination polymers as microporous hosts for absorption or as catalytic materials, see: Cheng et al. (2004); Yaghi & Li (1995).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of (NBA) (thermal ellipsoids areshown at 30% probability levels). [Symmetry codes: (i) 1 + x, y, z; (ii) -1 + x, y, z]
	Fig. 2. The molecular packing diagram along the a axis (the NBA and water molecules have been omitted for clarity)
	Fig. 3. Three-dimensional supermolecular structure is built up through hydrogen bond

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

Crystal data top

[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O	Z = 2
M_r = 536.82	F(000) = 554
Triclinic, P1	D_x = 1.722 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.6480 (13) Å	Cell parameters from 2416 reflections
b = 13.124 (3) Å	θ = 2.9–27.7°
c = 13.531 (3) Å	µ = 1.17 mm⁻¹
α = 63.46 (3)°	T = 295 K
β = 79.17 (4)°	Block, blue
γ = 82.13 (3)°	0.27 × 0.26 × 0.21 mm
V = 1035.5 (4) Å³

Data collection top

Bruker APEXII area-detector diffractometer	3719 independent reflections
Radiation source: fine-focus sealed tube	3113 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.021
φ and ω scan	θ_max = 25.2°, θ_min = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2005)	h = −7→7
T_min = 0.743, T_max = 0.791	k = −15→15
5466 measured reflections	l = −12→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)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.133	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0826P)² + 0.906P] where P = (F_o² + 2F_c²)/3
3696 reflections	(Δ/σ)_max = 0.001
280 parameters	Δρ_max = 0.76 e Å⁻³
0 restraints	Δρ_min = −0.76 e Å⁻³

Crystal data top

[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O	γ = 82.13 (3)°
M_r = 536.82	V = 1035.5 (4) Å³
Triclinic, P1	Z = 2
a = 6.6480 (13) Å	Mo Kα radiation
b = 13.124 (3) Å	µ = 1.17 mm⁻¹
c = 13.531 (3) Å	T = 295 K
α = 63.46 (3)°	0.27 × 0.26 × 0.21 mm
β = 79.17 (4)°

Data collection top

Bruker APEXII area-detector diffractometer	3719 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 2005)	3113 reflections with I > 2σ(I)
T_min = 0.743, T_max = 0.791	R_int = 0.021
5466 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	0 restraints
wR(F²) = 0.133	H-atom parameters constrained
S = 1.02	Δρ_max = 0.76 e Å⁻³
3696 reflections	Δρ_min = −0.76 e Å⁻³
280 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
Cu1	0.45974 (6)	1.11126 (4)	0.67569 (3)	0.02613 (17)
Na1	0.9245 (2)	1.21836 (13)	0.62390 (12)	0.0355 (4)
N1	0.1276 (5)	0.5042 (3)	1.1324 (2)	0.0300 (7)
C1	0.2949 (5)	0.8902 (3)	0.8445 (3)	0.0233 (7)
C2	0.2868 (5)	0.7638 (3)	0.8775 (3)	0.0224 (7)
C3	0.3519 (5)	0.7198 (3)	0.7989 (3)	0.0209 (7)
C4	0.3514 (5)	0.6022 (3)	0.8333 (3)	0.0219 (7)
C5	0.2859 (5)	0.5315 (3)	0.9441 (3)	0.0238 (7)
H5	0.2926	0.4528	0.9687	0.029*
C6	0.2110 (5)	0.5782 (3)	1.0174 (3)	0.0246 (7)
C7	0.2114 (5)	0.6939 (3)	0.9862 (3)	0.0240 (7)
H7	0.1620	0.7239	1.0374	0.029*
C8	0.4157 (5)	0.7967 (3)	0.6777 (3)	0.0217 (7)
C9	0.4168 (5)	0.5492 (3)	0.7518 (3)	0.0255 (8)
O1	0.1623 (5)	0.4011 (2)	1.1654 (2)	0.0438 (7)
O2	0.0221 (4)	0.5489 (3)	1.1883 (2)	0.0424 (7)
O3	0.5154 (4)	0.4541 (2)	0.7880 (2)	0.0350 (6)
O4	0.3646 (4)	0.6026 (2)	0.6569 (2)	0.0322 (6)
O5	0.5992 (3)	0.7895 (2)	0.6373 (2)	0.0279 (5)
O6	0.2773 (3)	0.8631 (2)	0.62482 (19)	0.0253 (5)
O7	0.1643 (4)	0.9349 (2)	0.8958 (2)	0.0378 (7)
O8	0.4354 (3)	0.94091 (19)	0.76839 (19)	0.0239 (5)
O1W	1.0173 (5)	1.3157 (3)	0.4326 (3)	0.0583 (9)
H1W	1.1316	1.3136	0.3943	0.087*
H2W	0.9188	1.3422	0.3956	0.087*
O2W	0.3871 (5)	0.2405 (2)	0.8712 (2)	0.0480 (8)
H3W	0.3277	0.2063	0.9367	0.072*
H4W	0.4314	0.2983	0.8694	0.072*
O3W	0.2499 (4)	0.4492 (2)	0.5859 (2)	0.0413 (7)
H5W	0.2851	0.4832	0.6193	0.062*
H6W	0.2712	0.4938	0.5177	0.062*
O4W	0.8268 (4)	1.3977 (3)	0.6357 (2)	0.0457 (7)
H7W	0.7512	1.3945	0.6941	0.069*
H8W	0.9337	1.4228	0.6390	0.069*
O5W	0.8772 (4)	0.8670 (2)	0.7141 (2)	0.0342 (6)
H9W	1.0052	0.8651	0.6965	0.051*
H10W	0.8229	0.8171	0.7068	0.051*
O6W	0.7667 (4)	0.8945 (3)	0.9121 (2)	0.0416 (7)
H11W	0.8793	0.9089	0.9212	0.062*
H12W	0.7799	0.8737	0.8607	0.062*
O7W	0.1910 (4)	1.1559 (2)	0.7608 (2)	0.0322 (6)
H13W	0.1805	1.0929	0.8175	0.048*
H14W	0.2254	1.1929	0.7914	0.048*
O8W	0.6440 (4)	1.1187 (2)	0.7809 (2)	0.0304 (6)
H15W	0.6707	1.0528	0.8295	0.046*
H16W	0.5749	1.1599	0.8095	0.046*
O9W	0.2728 (4)	1.0955 (2)	0.5785 (2)	0.0277 (5)
H18W	0.2966	1.1361	0.5094	0.041*
H17W	0.2814	1.0266	0.5904	0.041*
O10W	0.7342 (4)	1.0795 (2)	0.5925 (2)	0.0275 (5)
H19W	0.7623	1.0126	0.6388	0.041*
H20W	0.7367	1.0866	0.5275	0.041*
O11W	0.5012 (4)	1.2786 (2)	0.5697 (2)	0.0329 (6)
H21W	0.5259	1.3005	0.5003	0.049*
H22W	0.4304	1.3288	0.5857	0.049*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.0215 (3)	0.0263 (3)	0.0308 (3)	−0.00127 (17)	−0.00157 (18)	−0.0134 (2)
Na1	0.0309 (8)	0.0395 (9)	0.0336 (8)	−0.0038 (7)	−0.0005 (6)	−0.0146 (7)
N1	0.0234 (16)	0.0362 (18)	0.0270 (16)	−0.0065 (13)	−0.0033 (13)	−0.0094 (14)
C1	0.0191 (17)	0.0243 (17)	0.0272 (18)	0.0004 (14)	−0.0049 (14)	−0.0115 (15)
C2	0.0163 (16)	0.0238 (17)	0.0279 (18)	−0.0009 (13)	−0.0026 (13)	−0.0121 (14)
C3	0.0101 (15)	0.0242 (17)	0.0283 (18)	0.0014 (12)	−0.0050 (13)	−0.0112 (14)
C4	0.0138 (16)	0.0239 (17)	0.0284 (18)	0.0013 (13)	−0.0054 (13)	−0.0114 (14)
C5	0.0200 (17)	0.0225 (17)	0.0286 (18)	0.0001 (13)	−0.0059 (14)	−0.0103 (14)
C6	0.0156 (16)	0.0294 (19)	0.0251 (18)	−0.0001 (14)	−0.0051 (13)	−0.0081 (15)
C7	0.0187 (17)	0.0280 (18)	0.0277 (18)	0.0018 (14)	−0.0023 (14)	−0.0156 (15)
C8	0.0182 (17)	0.0216 (16)	0.0286 (18)	−0.0023 (13)	−0.0015 (14)	−0.0141 (14)
C9	0.0183 (17)	0.0278 (18)	0.032 (2)	−0.0085 (14)	0.0041 (14)	−0.0158 (16)
O1	0.0474 (18)	0.0309 (16)	0.0384 (16)	−0.0047 (13)	−0.0023 (13)	−0.0029 (12)
O2	0.0423 (17)	0.0481 (17)	0.0325 (15)	−0.0075 (14)	0.0089 (13)	−0.0178 (14)
O3	0.0375 (15)	0.0285 (14)	0.0415 (15)	0.0052 (12)	−0.0052 (12)	−0.0193 (12)
O4	0.0358 (15)	0.0358 (14)	0.0275 (14)	−0.0040 (12)	−0.0032 (11)	−0.0161 (12)
O5	0.0168 (12)	0.0343 (14)	0.0294 (13)	−0.0004 (10)	0.0008 (10)	−0.0127 (11)
O6	0.0199 (12)	0.0275 (13)	0.0253 (12)	0.0016 (10)	−0.0047 (10)	−0.0090 (10)
O7	0.0351 (15)	0.0314 (14)	0.0463 (16)	−0.0050 (12)	0.0122 (12)	−0.0225 (13)
O8	0.0199 (12)	0.0218 (12)	0.0275 (13)	−0.0024 (9)	0.0004 (10)	−0.0095 (10)
O1W	0.0451 (18)	0.070 (2)	0.0423 (18)	0.0258 (16)	−0.0035 (14)	−0.0179 (16)
O2W	0.066 (2)	0.0372 (16)	0.0431 (17)	−0.0126 (15)	0.0103 (15)	−0.0239 (14)
O3W	0.0445 (17)	0.0404 (16)	0.0471 (17)	0.0023 (13)	−0.0078 (13)	−0.0270 (14)
O4W	0.0373 (16)	0.060 (2)	0.0482 (17)	−0.0100 (14)	−0.0011 (13)	−0.0305 (16)
O5W	0.0208 (13)	0.0348 (14)	0.0501 (17)	0.0011 (11)	−0.0051 (11)	−0.0219 (13)
O6W	0.0340 (15)	0.0517 (18)	0.0388 (16)	−0.0006 (13)	−0.0044 (12)	−0.0202 (14)
O7W	0.0282 (14)	0.0322 (14)	0.0372 (14)	−0.0002 (11)	0.0014 (11)	−0.0187 (12)
O8W	0.0329 (14)	0.0314 (14)	0.0302 (14)	−0.0012 (11)	−0.0060 (11)	−0.0159 (11)
O9W	0.0288 (13)	0.0267 (13)	0.0274 (13)	−0.0017 (10)	−0.0054 (10)	−0.0111 (11)
O10W	0.0232 (12)	0.0300 (13)	0.0282 (13)	0.0018 (10)	−0.0005 (10)	−0.0138 (11)
O11W	0.0394 (15)	0.0237 (13)	0.0310 (14)	−0.0019 (11)	0.0016 (11)	−0.0104 (11)

Geometric parameters (Å, º) top

Cu1—O8	2.028 (2)	C8—O5	1.249 (4)
Cu1—O11W	2.040 (3)	C8—O6	1.260 (4)
Cu1—O10W	2.052 (2)	C9—O4	1.247 (4)
Cu1—O9W	2.061 (2)	C9—O3	1.256 (4)
Cu1—O8W	2.086 (2)	O1W—H1W	0.8400
Cu1—O7W	2.098 (3)	O1W—H2W	0.8399
Na1—O1W	2.318 (4)	O2W—H3W	0.8400
Na1—O4W	2.422 (3)	O2W—H4W	0.8398
Na1—O8W	2.529 (3)	O3W—H5W	0.8401
Na1—O10W	2.574 (3)	O3W—H6W	0.8398
Na1—O7Wⁱ	2.593 (3)	O4W—H7W	0.8401
Na1—O9Wⁱ	2.770 (3)	O4W—H8W	0.8401
N1—O2	1.222 (4)	O5W—H9W	0.8401
N1—O1	1.224 (4)	O5W—H10W	0.8400
N1—C6	1.464 (5)	O6W—H11W	0.8399
C1—O8	1.254 (4)	O6W—H12W	0.8400
C1—O7	1.256 (4)	O7W—Na1ⁱⁱ	2.593 (3)
C1—C2	1.519 (5)	O7W—H13W	0.8400
C2—C7	1.378 (5)	O7W—H14W	0.8399
C2—C3	1.400 (5)	O8W—H15W	0.8399
C3—C4	1.400 (5)	O8W—H16W	0.8399
C3—C8	1.505 (5)	O9W—Na1ⁱⁱ	2.769 (3)
C4—C5	1.386 (5)	O9W—H18W	0.8398
C4—C9	1.521 (5)	O9W—H17W	0.8400
C5—C6	1.372 (5)	O10W—H19W	0.8398
C5—H5	0.9300	O10W—H20W	0.8395
C6—C7	1.382 (5)	O11W—H21W	0.8400
C7—H7	0.9300	O11W—H22W	0.8401

O8—Cu1—O11W	174.07 (9)	C2—C3—C8	121.4 (3)
O8—Cu1—O10W	89.57 (10)	C5—C4—C3	119.6 (3)
O11W—Cu1—O10W	85.25 (11)	C5—C4—C9	118.6 (3)
O8—Cu1—O9W	85.27 (10)	C3—C4—C9	121.8 (3)
O11W—Cu1—O9W	92.50 (11)	C6—C5—C4	119.6 (3)
O10W—Cu1—O9W	97.07 (10)	C6—C5—H5	120.2
O8—Cu1—O8W	91.76 (10)	C4—C5—H5	120.2
O11W—Cu1—O8W	90.54 (11)	C5—C6—C7	122.0 (3)
O10W—Cu1—O8W	83.80 (10)	C5—C6—N1	119.5 (3)
O9W—Cu1—O8W	176.89 (10)	C7—C6—N1	118.5 (3)
O8—Cu1—O7W	94.30 (10)	C2—C7—C6	118.5 (3)
O11W—Cu1—O7W	91.04 (11)	C2—C7—H7	120.8
O10W—Cu1—O7W	174.87 (10)	C6—C7—H7	120.8
O9W—Cu1—O7W	86.61 (10)	O5—C8—O6	125.2 (3)
O8W—Cu1—O7W	92.71 (10)	O5—C8—C3	118.1 (3)
O8—Cu1—Na1	118.29 (8)	O6—C8—C3	116.7 (3)
O11W—Cu1—Na1	59.92 (9)	O4—C9—O3	126.4 (3)
O10W—Cu1—Na1	49.22 (8)	O4—C9—C4	117.4 (3)
O9W—Cu1—Na1	134.47 (8)	O3—C9—C4	116.2 (3)
O8W—Cu1—Na1	48.05 (8)	C1—O8—Cu1	128.3 (2)
O7W—Cu1—Na1	125.72 (8)	Na1—O1W—H1W	128.5
O1W—Na1—O4W	90.19 (12)	Na1—O1W—H2W	115.0
O1W—Na1—O8W	146.32 (13)	H1W—O1W—H2W	114.4
O4W—Na1—O8W	91.74 (11)	H3W—O2W—H4W	104.9
O1W—Na1—O10W	89.56 (13)	H5W—O3W—H6W	105.6
O4W—Na1—O10W	134.16 (11)	Na1—O4W—H7W	116.6
O8W—Na1—O10W	65.55 (9)	Na1—O4W—H8W	107.4
O1W—Na1—O7Wⁱ	121.61 (12)	H7W—O4W—H8W	101.9
O4W—Na1—O7Wⁱ	93.88 (11)	H9W—O5W—H10W	112.6
O8W—Na1—O7Wⁱ	91.80 (9)	H11W—O6W—H12W	112.2
O10W—Na1—O7Wⁱ	124.37 (10)	Cu1—O7W—Na1ⁱⁱ	104.30 (11)
O1W—Na1—O9Wⁱ	76.07 (10)	Cu1—O7W—H13W	97.3
O4W—Na1—O9Wⁱ	139.84 (11)	Na1ⁱⁱ—O7W—H13W	118.8
O8W—Na1—O9Wⁱ	120.44 (10)	Cu1—O7W—H14W	107.2
O10W—Na1—O9Wⁱ	84.04 (8)	Na1ⁱⁱ—O7W—H14W	127.7
O7Wⁱ—Na1—O9Wⁱ	64.18 (8)	H13W—O7W—H14W	97.3
O1W—Na1—O11W	84.16 (11)	Cu1—O8W—Na1	94.13 (10)
O4W—Na1—O11W	74.72 (10)	Cu1—O8W—H15W	110.2
O8W—Na1—O11W	64.06 (9)	Na1—O8W—H15W	118.7
O10W—Na1—O11W	59.67 (8)	Cu1—O8W—H16W	105.0
O7Wⁱ—Na1—O11W	152.36 (9)	Na1—O8W—H16W	114.6
O9Wⁱ—Na1—O11W	138.74 (9)	H15W—O8W—H16W	111.7
O1W—Na1—Cu1	109.05 (11)	Cu1—O9W—Na1ⁱⁱ	99.58 (10)
O4W—Na1—Cu1	101.24 (9)	Cu1—O9W—H18W	116.8
O8W—Na1—Cu1	37.82 (6)	Na1ⁱⁱ—O9W—H18W	97.8
O10W—Na1—Cu1	37.12 (6)	Cu1—O9W—H17W	107.5
O7Wⁱ—Na1—Cu1	126.89 (8)	Na1ⁱⁱ—O9W—H17W	126.6
O9Wⁱ—Na1—Cu1	118.89 (7)	H18W—O9W—H17W	108.9
O11W—Na1—Cu1	36.68 (5)	Cu1—O10W—Na1	93.66 (10)
O2—N1—O1	124.0 (3)	Cu1—O10W—H19W	99.1
O2—N1—C6	118.0 (3)	Na1—O10W—H19W	108.8
O1—N1—C6	117.9 (3)	Cu1—O10W—H20W	118.2
O8—C1—O7	125.5 (3)	Na1—O10W—H20W	119.7
O8—C1—C2	116.4 (3)	H19W—O10W—H20W	114.0
O7—C1—C2	118.2 (3)	Cu1—O11W—H21W	121.0
C7—C2—C3	120.9 (3)	Na1—O11W—H21W	99.5
C7—C2—C1	118.4 (3)	Cu1—O11W—H22W	118.5
C3—C2—C1	120.7 (3)	Na1—O11W—H22W	118.7
C4—C3—C2	119.2 (3)	H21W—O11W—H22W	111.2
C4—C3—C8	119.4 (3)

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
O1W—H2W···O4ⁱⁱⁱ	0.84	2.06	2.883 (4)	166
O1W—H1W···O5^iv	0.84	2.19	2.932 (4)	148
O2W—H4W···O3	0.84	1.94	2.706 (4)	151
O2W—H3W···O6W^v	0.84	1.91	2.741 (4)	169
O3W—H6W···O4Wⁱⁱⁱ	0.84	2.09	2.863 (4)	153
O3W—H5W···O4	0.84	2.01	2.825 (4)	164
O4W—H8W···O3W^vi	0.84	2.11	2.868 (4)	149
O4W—H7W···O3^vii	0.84	2.12	2.902 (4)	155
O5W—H10W···O1^v	0.84	2.60	3.174 (4)	127
O5W—H10W···O5	0.84	2.05	2.778 (4)	145
O5W—H9W···O6ⁱ	0.84	1.89	2.711 (3)	166
O6W—H12W···O5W	0.84	2.00	2.810 (4)	161
O6W—H11W···O7ⁱ	0.84	1.91	2.716 (4)	160
O7W—H14W···O2W^vii	0.84	1.98	2.788 (4)	160
O7W—H13W···O7	0.84	1.87	2.657 (4)	156
O8W—H16W···O2W^vii	0.84	1.85	2.679 (4)	171
O8W—H15W···O6W	0.84	1.95	2.774 (4)	167
O9W—H18W···O5ⁱⁱⁱ	0.84	1.82	2.647 (4)	168
O9W—H17W···O6	0.84	1.99	2.823 (3)	175
O10W—H19W···O5W	0.84	1.85	2.674 (4)	166
O10W—H20W···O6ⁱⁱⁱ	0.84	1.88	2.704 (3)	167
O11W—H22W···O3W^vii	0.84	1.85	2.670 (4)	165
O11W—H21W···O4ⁱⁱⁱ	0.84	1.98	2.776 (4)	158

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

Experimental details

Crystal data
Chemical formula	[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O
M_r	536.82
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	6.6480 (13), 13.124 (3), 13.531 (3)
α, β, γ (°)	63.46 (3), 79.17 (4), 82.13 (3)
V (Å³)	1035.5 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.17
Crystal size (mm)	0.27 × 0.26 × 0.21

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 2005)
T_min, T_max	0.743, 0.791
No. of measured, independent and observed [I > 2σ(I)] reflections	5466, 3719, 3113
R_int	0.021
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.133, 1.02
No. of reflections	3696
No. of parameters	280
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.76, −0.76

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), Mercury (Macrae et al., 2006), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2W···O4ⁱ	0.84	2.06	2.883 (4)	165.9
O1W—H1W···O5ⁱⁱ	0.84	2.19	2.932 (4)	147.8
O2W—H4W···O3	0.84	1.94	2.706 (4)	150.8
O2W—H3W···O6Wⁱⁱⁱ	0.84	1.91	2.741 (4)	168.9
O3W—H6W···O4Wⁱ	0.84	2.09	2.863 (4)	152.7
O3W—H5W···O4	0.84	2.01	2.825 (4)	163.7
O4W—H8W···O3W^iv	0.84	2.11	2.868 (4)	149.4
O4W—H7W···O3^v	0.84	2.12	2.902 (4)	155.1
O5W—H10W···O1ⁱⁱⁱ	0.84	2.60	3.174 (4)	126.6
O5W—H10W···O5	0.84	2.05	2.778 (4)	144.5
O5W—H9W···O6^vi	0.84	1.89	2.711 (3)	166.2
O6W—H12W···O5W	0.84	2.00	2.810 (4)	160.5
O6W—H11W···O7^vi	0.84	1.91	2.716 (4)	160.2
O7W—H14W···O2W^v	0.84	1.98	2.788 (4)	160.2
O7W—H13W···O7	0.84	1.87	2.657 (4)	156.1
O8W—H16W···O2W^v	0.84	1.85	2.679 (4)	170.9
O8W—H15W···O6W	0.84	1.95	2.774 (4)	166.5
O9W—H18W···O5ⁱ	0.84	1.82	2.647 (4)	168.3
O9W—H17W···O6	0.84	1.99	2.823 (3)	175.1
O10W—H19W···O5W	0.84	1.85	2.674 (4)	166.1
O10W—H20W···O6ⁱ	0.84	1.88	2.704 (3)	167.0
O11W—H22W···O3W^v	0.84	1.85	2.670 (4)	164.9
O11W—H21W···O4ⁱ	0.84	1.98	2.776 (4)	157.6

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

Acknowledgements

The authors gratefully acknowledge financial support by the Scientific Research Innovation Foundation for youth teachers of Zhoukou Normal University.

References

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