Poly[aqua­[μ-N′-(carboxymethyl)ethylene­diamine-­N,N,N′-triacetato]neodymium(III)]

Huang, X.-H.; Xu, X.-H.; Pan, W.-B.; Zeng, R.-H.

doi:10.1107/S1600536808026445

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 9| September 2008| Page m1194

doi:10.1107/S1600536808026445

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Poly[aqua[μ-N′-(carboxymethyl)ethylenediamine-N,N,N′-triacetato]neodymium(III)]

Xiao-Hui Huang,^a Xiao-Hong Xu,^a Wei-Bo Pan ^a and Rong-Hua Zeng ^a,^b ^*

^aSchool of Chemistry and the Environment, South China Normal University, Guangzhou 510006, People's Republic of China, and ^bKey Laboratory of Electrochemical Technology of Energy Storage and Power Generation in Guangdong Universities, Guangzhou 510631, People's Republic of China
^*Correspondence e-mail: zrh321@yahoo.com.cn

(Received 9 August 2008; accepted 17 August 2008; online 23 August 2008)

In the title complex, [Nd(C₁₀H₁₃N₂O₈)(H₂O)]_n, each Nd^III ion is coordinated by six O atoms and two N atoms from one N′-(carboxymethyl)ethylenediamine-N,N,N′-triacetate (edta) ligand and one water molecule, displaying a bicapped trigonal-prismatic geometry. The edta ligands link the neodymium metal centres, forming polymeric chains running along the a axis of the unit cell. These chains are further assembled via intermolecular O—H⋯O hydrogen-bonding interactions into a three-dimensional supramolecular network.

Related literature

For related literature, see: Moulton & Zaworotko (2001 ); Zeng et al., (2007 ).

Experimental

Crystal data

[Nd(C₁₀H₁₃N₂O₈)(H₂O)]
M_r = 451.48
Orthorhombic, P b c a
a = 6.6420 (3) Å
b = 14.7273 (6) Å
c = 26.0161 (10) Å
V = 2544.86 (18) Å³
Z = 8
Mo Kα radiation
μ = 4.14 mm⁻¹
T = 296 (2) K
0.22 × 0.20 × 0.19 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.42, T_max = 0.46
22432 measured reflections
3028 independent reflections
2647 reflections with I > 2σ(I)
R_int = 0.034

Refinement

R[F² > 2σ(F²)] = 0.019
wR(F²) = 0.041
S = 1.02
3028 reflections
200 parameters
3 restraints
H-atom parameters constrained
Δρ_max = 0.71 e Å⁻³
Δρ_min = −0.55 e Å⁻³

Table 1
Selected bond lengths (Å)

Nd1—O1	2.3675 (16)
Nd1—O5	2.4078 (18)
Nd1—O6ⁱ	2.4173 (17)
Nd1—O7ⁱⁱ	2.4892 (16)
Nd1—O7	2.4932 (16)
Nd1—O3	2.5377 (16)
Nd1—O1W	2.5516 (18)
Nd1—N1	2.7484 (19)
Nd1—N2	2.803 (2)
Symmetry codes: (i) x+1, y, z; (ii) -x+2, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H2W⋯O8ⁱⁱⁱ	0.85	2.10	2.941 (3)	174
O1W—H1W⋯O5ⁱⁱ	0.85	1.96	2.778 (2)	162
O4—H4⋯O2^iv	0.82	1.67	2.475 (2)	166
Symmetry codes: (ii) -x+2, -y+1, -z+1; (iii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1]$ ; (iv) $[-x+{\script{5\over 2}}, y-{\script{1\over 2}}, z]$ .

Data collection: APEX2 (Bruker, 2004 ); cell refinement: APEX2; data reduction: APEX2; 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: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808026445/bg2202sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808026445/bg2202Isup2.hkl

checkCIF report

Comment top

Molecular self-assembly of supramolecular architectures has received much attention during recent decades (Zeng et al., 2007; Moulton & Zaworotko, 2001). The structures and properties of such systems depend on the coordination and geometric preferences of both the central metal ions and the bridging building blocks, as well as the influence of weaker non-covalent interactions, such as hydrogen bonds and π-π stacking interactions. Recently, we obtained the title coordination polymer, which was synthesized under hydrothermal conditions.

As illustrated in Fig. 1, each Nd^III centre is in a bicapped trigonal prismatic geometry, defined by six oxygen and two nitrogen atoms from one ethylene-diamine tetraacetate(edta) ligand and one water molecule. The Nd^III ions are linked by edta ligands to form an infinite polymeric chain in the a axis direction(Fig.2), and the adjacent Nd···Nd separations are 4.253 (4) and 6.642 (5) Å, respectively. O—H···O hydrogen bonding (Table 1), involving carboxylate groups of edta ligands and the coordinating water molecules, assemble neighbouring chains to form a three-dimensional supramolecular network motif.

Related literature top

For related literature, see: Moulton & Zaworotko (2001); Zeng et al., (2007).

Experimental top

A mixture of Nd₂O₃ (0.168 g; 0.5 mmol), ethylene-diamine tetraacetic acid (0.292 g; 1 mmol), water (10 ml) in the presence of HNO₃ (0.1 mmol) was stirred vigorously for 20 min and then sealed in a Teflon-lined stainless-steel autoclave (15 ml, capacity). The autoclave was heated to and maintained at 433 K for 3 days, and then cooled to room temperature at 5 K h^-1 to obtain the colorless block crystals.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: APEX2 (Bruker, 2004); data reduction: APEX2 (Bruker, 2004); 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: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure showing the atomic-numbering scheme. Displacement ellipsoids drawn at the 30% probability level. Symmetry codes: (i)1 + x, y, z; (ii)2 - x, 1 - y, 1 - z.
	Fig. 2. View of an infinite polymeric chain of the title complex.

Poly[aqua[µ-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato]neodymium(III)] top

Crystal data top

[Nd(C₁₀H₁₃N₂O₈)(H₂O)]	F(000) = 1768
M_r = 451.48	D_x = 2.357 Mg m⁻³
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 7620 reflections
a = 6.6420 (3) Å	θ = 2.8–27.8°
b = 14.7273 (6) Å	µ = 4.14 mm⁻¹
c = 26.0161 (10) Å	T = 296 K
V = 2544.86 (18) Å³	Block, colourless
Z = 8	0.22 × 0.20 × 0.19 mm

Data collection top

Bruker APEXII area-detector diffractometer	3028 independent reflections
Radiation source: fine-focus sealed tube	2647 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.034
ϕ and ω scans	θ_max = 27.8°, θ_min = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −7→8
T_min = 0.42, T_max = 0.46	k = −19→19
22432 measured reflections	l = −32→34

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.041	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.016P)² + 2.21P] where P = (F_o² + 2F_c²)/3
3028 reflections	(Δ/σ)_max = 0.004
200 parameters	Δρ_max = 0.71 e Å⁻³
3 restraints	Δρ_min = −0.55 e Å⁻³

Crystal data top

[Nd(C₁₀H₁₃N₂O₈)(H₂O)]	V = 2544.86 (18) Å³
M_r = 451.48	Z = 8
Orthorhombic, Pbca	Mo Kα radiation
a = 6.6420 (3) Å	µ = 4.14 mm⁻¹
b = 14.7273 (6) Å	T = 296 K
c = 26.0161 (10) Å	0.22 × 0.20 × 0.19 mm

Data collection top

Bruker APEXII area-detector diffractometer	3028 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2647 reflections with I > 2σ(I)
T_min = 0.42, T_max = 0.46	R_int = 0.034
22432 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.019	3 restraints
wR(F²) = 0.041	H-atom parameters constrained
S = 1.02	Δρ_max = 0.71 e Å⁻³
3028 reflections	Δρ_min = −0.55 e Å⁻³
200 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
Nd1	1.075731 (17)	0.492979 (7)	0.420675 (4)	0.01307 (4)
C1	1.2133 (4)	0.64721 (15)	0.33465 (8)	0.0191 (5)
C2	1.0901 (4)	0.71297 (15)	0.36663 (9)	0.0223 (5)
H2A	1.1805	0.7498	0.3872	0.027*
H2B	1.0168	0.7533	0.3438	0.027*
C3	1.0295 (4)	0.38164 (15)	0.30802 (9)	0.0202 (5)
C4	0.9158 (4)	0.46577 (16)	0.29163 (9)	0.0206 (5)
H4A	1.0085	0.5096	0.2770	0.025*
H4B	0.8172	0.4501	0.2656	0.025*
C5	0.5878 (4)	0.44098 (15)	0.40469 (9)	0.0195 (5)
C6	0.6307 (4)	0.45104 (17)	0.34798 (9)	0.0226 (5)
H6A	0.6460	0.3911	0.3331	0.027*
H6B	0.5158	0.4797	0.3317	0.027*
C7	0.9063 (4)	0.66244 (15)	0.49694 (9)	0.0193 (5)
C8	0.9167 (4)	0.71960 (15)	0.44896 (9)	0.0223 (5)
H8A	0.7933	0.7544	0.4461	0.027*
H8B	1.0271	0.7623	0.4524	0.027*
C9	0.7466 (4)	0.65605 (15)	0.37536 (9)	0.0219 (5)
H9A	0.6927	0.7157	0.3676	0.026*
H9B	0.6542	0.6264	0.3989	0.026*
C10	0.7579 (4)	0.60141 (15)	0.32623 (9)	0.0213 (5)
H10A	0.6283	0.6031	0.3091	0.026*
H10B	0.8565	0.6286	0.3034	0.026*
N1	0.9454 (3)	0.66667 (13)	0.40105 (7)	0.0189 (4)
N2	0.8145 (3)	0.50536 (12)	0.33635 (7)	0.0186 (4)
O1	1.2294 (3)	0.56652 (10)	0.34990 (6)	0.0231 (4)
O2	1.2979 (3)	0.67575 (11)	0.29451 (6)	0.0268 (4)
O3	1.0728 (3)	0.36869 (11)	0.35312 (6)	0.0257 (4)
O4	1.0749 (3)	0.32789 (12)	0.27038 (6)	0.0323 (5)
H4	1.1285	0.2819	0.2817	0.048*
O5	0.7375 (3)	0.43953 (12)	0.43463 (6)	0.0263 (4)
O6	0.4103 (3)	0.42845 (11)	0.41880 (6)	0.0240 (4)
O7	0.9077 (3)	0.57641 (11)	0.49218 (6)	0.0236 (4)
O8	0.9002 (3)	0.70106 (13)	0.53946 (6)	0.0317 (4)
O1W	1.3251 (3)	0.60217 (12)	0.46245 (7)	0.0298 (4)
H1W	1.3343	0.5883	0.4939	0.045*
H2W	1.3550	0.6580	0.4605	0.045*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Nd1	0.01078 (7)	0.01511 (7)	0.01332 (7)	−0.00035 (4)	0.00070 (4)	0.00100 (4)
C1	0.0148 (12)	0.0235 (11)	0.0189 (11)	−0.0010 (9)	−0.0003 (9)	0.0003 (9)
C2	0.0241 (14)	0.0185 (11)	0.0243 (12)	−0.0013 (10)	0.0044 (10)	0.0024 (9)
C3	0.0200 (13)	0.0200 (11)	0.0208 (12)	−0.0005 (9)	0.0011 (9)	−0.0013 (9)
C4	0.0230 (13)	0.0217 (11)	0.0171 (11)	0.0025 (10)	0.0002 (9)	−0.0009 (9)
C5	0.0170 (13)	0.0151 (10)	0.0265 (12)	0.0008 (9)	0.0015 (9)	0.0009 (9)
C6	0.0169 (13)	0.0260 (12)	0.0249 (13)	−0.0037 (10)	−0.0012 (10)	−0.0012 (10)
C7	0.0134 (13)	0.0227 (11)	0.0217 (12)	0.0018 (9)	0.0020 (9)	0.0018 (9)
C8	0.0290 (15)	0.0161 (11)	0.0216 (12)	0.0032 (10)	0.0035 (10)	−0.0016 (9)
C9	0.0184 (13)	0.0201 (11)	0.0271 (12)	0.0046 (9)	0.0002 (10)	0.0002 (9)
C10	0.0188 (13)	0.0216 (11)	0.0236 (12)	0.0046 (9)	−0.0028 (10)	0.0008 (9)
N1	0.0216 (12)	0.0176 (9)	0.0176 (10)	0.0010 (8)	0.0035 (8)	−0.0011 (7)
N2	0.0163 (11)	0.0199 (10)	0.0197 (10)	0.0015 (8)	0.0014 (7)	−0.0006 (8)
O1	0.0221 (10)	0.0198 (8)	0.0274 (9)	0.0024 (7)	0.0054 (7)	0.0043 (7)
O2	0.0329 (11)	0.0240 (8)	0.0236 (9)	−0.0020 (8)	0.0092 (7)	0.0018 (7)
O3	0.0324 (11)	0.0245 (9)	0.0202 (9)	0.0078 (8)	−0.0044 (7)	−0.0004 (7)
O4	0.0511 (14)	0.0255 (9)	0.0204 (9)	0.0149 (9)	0.0014 (8)	−0.0010 (7)
O5	0.0168 (10)	0.0368 (10)	0.0252 (9)	−0.0068 (8)	−0.0041 (7)	0.0059 (7)
O6	0.0149 (9)	0.0252 (9)	0.0319 (10)	−0.0015 (7)	0.0027 (7)	0.0057 (7)
O7	0.0273 (10)	0.0204 (8)	0.0231 (9)	0.0058 (7)	0.0058 (7)	0.0053 (6)
O8	0.0379 (12)	0.0382 (10)	0.0191 (9)	−0.0007 (9)	0.0046 (8)	−0.0050 (8)
O1W	0.0329 (12)	0.0320 (10)	0.0247 (10)	−0.0054 (8)	−0.0035 (8)	−0.0016 (7)

Geometric parameters (Å, º) top

Nd1—O1	2.3675 (16)	C5—O5	1.263 (3)
Nd1—O5	2.4078 (18)	C5—C6	1.510 (3)
Nd1—O6ⁱ	2.4173 (17)	C6—N2	1.490 (3)
Nd1—O7ⁱⁱ	2.4892 (16)	C6—H6A	0.9700
Nd1—O7	2.4932 (16)	C6—H6B	0.9700
Nd1—O3	2.5377 (16)	C7—O8	1.245 (3)
Nd1—O1W	2.5516 (18)	C7—O7	1.273 (3)
Nd1—N1	2.7484 (19)	C7—C8	1.507 (3)
Nd1—N2	2.803 (2)	C8—N1	1.482 (3)
C1—O1	1.257 (3)	C8—H8A	0.9700
C1—O2	1.258 (3)	C8—H8B	0.9700
C1—C2	1.517 (3)	C9—N1	1.488 (3)
C2—N1	1.480 (3)	C9—C10	1.512 (3)
C2—H2A	0.9700	C9—H9A	0.9700
C2—H2B	0.9700	C9—H9B	0.9700
C3—O3	1.223 (3)	C10—N2	1.487 (3)
C3—O4	1.295 (3)	C10—H10A	0.9700
C3—C4	1.512 (3)	C10—H10B	0.9700
C4—N2	1.465 (3)	O4—H4	0.8200
C4—H4A	0.9700	O1W—H1W	0.85
C4—H4B	0.9700	O1W—H2W	0.85
C5—O6	1.249 (3)

O1—Nd1—O5	131.99 (6)	O6—C5—O5	124.0 (2)
O1—Nd1—O6ⁱ	76.58 (6)	O6—C5—C6	118.7 (2)
O5—Nd1—O6ⁱ	137.07 (6)	O5—C5—C6	117.1 (2)
O1—Nd1—O7ⁱⁱ	151.30 (6)	N2—C6—C5	113.9 (2)
O5—Nd1—O7ⁱⁱ	76.68 (6)	N2—C6—H6A	108.8
O6ⁱ—Nd1—O7ⁱⁱ	79.42 (5)	C5—C6—H6A	108.8
O1—Nd1—O7	123.22 (5)	N2—C6—H6B	108.8
O5—Nd1—O7	68.35 (6)	C5—C6—H6B	108.8
O6ⁱ—Nd1—O7	128.34 (6)	H6A—C6—H6B	107.7
O7ⁱⁱ—Nd1—O7	62.77 (6)	O8—C7—O7	122.8 (2)
O1—Nd1—O3	78.15 (6)	O8—C7—C8	118.8 (2)
O5—Nd1—O3	82.04 (6)	O7—C7—C8	118.4 (2)
O6ⁱ—Nd1—O3	73.11 (6)	N1—C8—C7	114.11 (18)
O7ⁱⁱ—Nd1—O3	109.57 (5)	N1—C8—H8A	108.7
O7—Nd1—O3	150.33 (6)	C7—C8—H8A	108.7
O1—Nd1—O1W	76.31 (6)	N1—C8—H8B	108.7
O5—Nd1—O1W	138.37 (6)	C7—C8—H8B	108.7
O6ⁱ—Nd1—O1W	70.10 (6)	H8A—C8—H8B	107.6
O7ⁱⁱ—Nd1—O1W	80.92 (6)	N1—C9—C10	113.05 (19)
O7—Nd1—O1W	70.25 (6)	N1—C9—H9A	109.0
O3—Nd1—O1W	138.98 (6)	C10—C9—H9A	109.0
O1—Nd1—N1	64.25 (6)	N1—C9—H9B	109.0
O5—Nd1—N1	92.20 (6)	C10—C9—H9B	109.0
O6ⁱ—Nd1—N1	130.67 (6)	H9A—C9—H9B	107.8
O7ⁱⁱ—Nd1—N1	124.42 (5)	N2—C10—C9	111.66 (18)
O7—Nd1—N1	62.54 (5)	N2—C10—H10A	109.3
O3—Nd1—N1	122.70 (5)	C9—C10—H10A	109.3
O1W—Nd1—N1	72.37 (6)	N2—C10—H10B	109.3
O1—Nd1—N2	68.18 (6)	C9—C10—H10B	109.3
O5—Nd1—N2	64.01 (6)	H10A—C10—H10B	107.9
O6ⁱ—Nd1—N2	125.37 (6)	C2—N1—C8	110.47 (18)
O7ⁱⁱ—Nd1—N2	140.07 (6)	C2—N1—C9	110.66 (19)
O7—Nd1—N2	105.96 (6)	C8—N1—C9	108.61 (18)
O3—Nd1—N2	60.01 (5)	C2—N1—Nd1	109.67 (13)
O1W—Nd1—N2	133.97 (5)	C8—N1—Nd1	111.94 (13)
N1—Nd1—N2	66.36 (5)	C9—N1—Nd1	105.38 (13)
O1—C1—O2	122.7 (2)	C4—N2—C10	110.73 (18)
O1—C1—C2	118.4 (2)	C4—N2—C6	108.90 (18)
O2—C1—C2	118.9 (2)	C10—N2—C6	109.86 (19)
N1—C2—C1	112.84 (18)	C4—N2—Nd1	108.14 (14)
N1—C2—H2A	109.0	C10—N2—Nd1	110.90 (13)
C1—C2—H2A	109.0	C6—N2—Nd1	108.24 (13)
N1—C2—H2B	109.0	C1—O1—Nd1	129.88 (15)
C1—C2—H2B	109.0	C3—O3—Nd1	123.62 (15)
H2A—C2—H2B	107.8	C3—O4—H4	109.5
O3—C3—O4	125.1 (2)	C5—O5—Nd1	129.48 (15)
O3—C3—C4	121.0 (2)	C5—O6—Nd1ⁱⁱⁱ	144.68 (15)
O4—C3—C4	113.8 (2)	C7—O7—Nd1ⁱⁱ	108.69 (14)
N2—C4—C3	109.35 (18)	C7—O7—Nd1	124.50 (14)
N2—C4—H4A	109.8	Nd1ⁱⁱ—O7—Nd1	117.23 (6)
C3—C4—H4A	109.8	Nd1—O1W—H1W	107.9
N2—C4—H4B	109.8	Nd1—O1W—H2W	137.6
C3—C4—H4B	109.8	H1W—O1W—H2W	105.9
H4A—C4—H4B	108.3

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2W···O8^iv	0.85	2.10	2.941 (3)	174
O1W—H1W···O5ⁱⁱ	0.85	1.96	2.778 (2)	162
O4—H4···O2^v	0.82	1.67	2.475 (2)	166

Symmetry codes: (ii) −x+2, −y+1, −z+1; (iv) x+1/2, −y+3/2, −z+1; (v) −x+5/2, y−1/2, z.

Experimental details

Crystal data
Chemical formula	[Nd(C₁₀H₁₃N₂O₈)(H₂O)]
M_r	451.48
Crystal system, space group	Orthorhombic, Pbca
Temperature (K)	296
a, b, c (Å)	6.6420 (3), 14.7273 (6), 26.0161 (10)
V (Å³)	2544.86 (18)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	4.14
Crystal size (mm)	0.22 × 0.20 × 0.19

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.42, 0.46
No. of measured, independent and observed [I > 2σ(I)] reflections	22432, 3028, 2647
R_int	0.034
(sin θ/λ)_max (Å⁻¹)	0.657

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.019, 0.041, 1.02
No. of reflections	3028
No. of parameters	200
No. of restraints	3
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.71, −0.55

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

Selected bond lengths (Å) top

Nd1—O1	2.3675 (16)	Nd1—O3	2.5377 (16)
Nd1—O5	2.4078 (18)	Nd1—O1W	2.5516 (18)
Nd1—O6ⁱ	2.4173 (17)	Nd1—N1	2.7484 (19)
Nd1—O7ⁱⁱ	2.4892 (16)	Nd1—N2	2.803 (2)
Nd1—O7	2.4932 (16)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2W···O8ⁱⁱⁱ	0.85	2.10	2.941 (3)	173.7
O1W—H1W···O5ⁱⁱ	0.85	1.96	2.778 (2)	161.7
O4—H4···O2^iv	0.82	1.67	2.475 (2)	166.2

Symmetry codes: (ii) −x+2, −y+1, −z+1; (iii) x+1/2, −y+3/2, −z+1; (iv) −x+5/2, y−1/2, z.

Acknowledgements

The authors acknowledge South China Normal University for supporting this work.

References

Bruker (2004). APEX2 and SMART. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629–1658. Web of Science CrossRef PubMed CAS 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
Zeng, R.-H., Qiu, Y.-C., Cai, Y.-P., Wu, J.-Z. & Deng, H. (2007). Acta Cryst. E63, m1666. Web of Science CSD CrossRef IUCr Journals Google Scholar

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Volume 64| Part 9| September 2008| Page m1194

doi:10.1107/S1600536808026445

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Poly[aqua­[μ-N′-(carboxymethyl)ethylene­di­amine-­N,N,N′-tri­acetato]neodymium(III)]

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Poly[aqua[μ-N′-(carboxymethyl)ethylenediamine-N,N,N′-triacetato]neodymium(III)]