Poly[diaqua-μ(2)-oxalato-di-μ(4)-succinato-diyttrium(III)].

In the title compound, [Y(2)(C(4)H(4)O(4))(2)(C(2)O(4))(H(2)O)(2)](n), the flexible succinate anion assumes a gauche conformation and bridges the eight-coordinated Y atoms, generating two-dimensional layers parallel to (010). The coordination polymer layers are linked into a three-dimensional framework by the rigid oxalate ligands. The oxalate ions are located on a center of inversion. Inter-molecular O-H⋯O hydrogen bonds help to stabilize the crystal structure.

Related literature

The title compound is isostructural with [Nd2(C4H4O4)2(C2O4)(H2O)], see: Wang et al. (2007 ▶). For bond lengths and angles in succinate anions, see: Seguatni et al. (2004 ▶).

Experimental

Crystal data

[Y2(C4H4O4)2(C2O4)(H2O)2]

M = 534.02

Triclinic,

a = 6.610 (2) Å

b = 7.689 (3) Å

c = 8.018 (3) Å

α = 101.589 (5)°

β = 101.843 (4)°

γ = 101.492 (5)°

V = 378.2 (2) Å3

Z = 1

Mo Kα radiation

μ = 7.71 mm−1

T = 295 K

0.21 × 0.18 × 0.09 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.215, T max = 0.505

2108 measured reflections

1482 independent reflections

1376 reflections with I > 2σ(I)

R int = 0.016

Refinement

R[F 2 > 2σ(F 2)] = 0.022

wR(F 2) = 0.059

S = 1.08

1482 reflections

119 parameters

H-atom parameters constrained

Δρmax = 0.60 e Å−3

Δρmin = −0.54 e Å−3

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: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809032085/jj2005sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809032085/jj2005Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Y2(C4H4O4)2(C2O4)(H2O)2]	Z = 1
Mr = 534.02	F(000) = 262
Triclinic, P1	Dx = 2.345 Mg m−3
Hall symbol: -p 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.610 (2) Å	Cell parameters from 336 reflections
b = 7.689 (3) Å	θ = 2.1–27.8°
c = 8.018 (3) Å	µ = 7.71 mm−1
α = 101.589 (5)°	T = 295 K
β = 101.843 (4)°	Plate, colorless
γ = 101.492 (5)°	0.21 × 0.18 × 0.09 mm
V = 378.2 (2) Å3

Bruker APEXII CCD area-detector diffractometer	1482 independent reflections
Radiation source: fine-focus sealed tube	1376 reflections with I > 2σ(I)
graphite	Rint = 0.016
φ and ω scans	θmax = 26.2°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −8→7
Tmin = 0.215, Tmax = 0.505	k = −6→9
2108 measured reflections	l = −9→9

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.022	H-atom parameters constrained
wR(F2) = 0.059	w = 1/[σ2(Fo2) + (0.0373P)2] where P = (Fo2 + 2Fc2)/3
S = 1.08	(Δ/σ)max = 0.001
1482 reflections	Δρmax = 0.60 e Å−3
119 parameters	Δρmin = −0.54 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.017 (3)

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.

	x	y	z	Uiso*/Ueq
Y	0.53610 (4)	0.62226 (3)	0.80635 (3)	0.01351 (12)
C1	0.1559 (4)	0.3484 (3)	0.7710 (3)	0.0152 (5)
C2	−0.0273 (4)	0.1915 (4)	0.7540 (4)	0.0252 (6)
H2A	−0.0878	0.2200	0.8536	0.030*
H2B	0.0271	0.0844	0.7616	0.030*
C3	−0.2057 (4)	0.1422 (4)	0.5858 (4)	0.0216 (6)
H3B	−0.1424	0.1425	0.4868	0.026*
H3A	−0.2900	0.0186	0.5697	0.026*
C4	−0.3519 (4)	0.2691 (4)	0.5834 (3)	0.0181 (6)
C5	0.3783 (4)	0.9630 (4)	0.9836 (3)	0.0161 (5)
O1	0.2979 (3)	0.4094 (2)	0.9192 (2)	0.0192 (4)
O2	0.1803 (3)	0.4203 (3)	0.6480 (2)	0.0213 (4)
O3	−0.3798 (4)	0.3458 (3)	0.7273 (3)	0.0332 (5)
O4	−0.4457 (3)	0.2882 (3)	0.4388 (3)	0.0330 (5)
O5	0.3011 (3)	0.7981 (2)	0.8991 (3)	0.0214 (4)
O6	0.2800 (3)	1.0725 (2)	1.0435 (3)	0.0210 (4)
O7	0.8645 (3)	0.6937 (3)	0.7236 (3)	0.0280 (5)
H7A	0.8427	0.6564	0.6127	0.042*
H7B	0.9949	0.7307	0.7811	0.042*

	U11	U22	U33	U12	U13	U23
Y	0.01401 (16)	0.01412 (16)	0.01224 (16)	0.00374 (10)	0.00208 (9)	0.00406 (10)
C1	0.0149 (12)	0.0151 (13)	0.0164 (12)	0.0070 (10)	0.0039 (10)	0.0029 (10)
C2	0.0170 (13)	0.0255 (16)	0.0329 (15)	0.0021 (11)	0.0000 (12)	0.0171 (12)
C3	0.0149 (13)	0.0161 (14)	0.0275 (15)	0.0002 (10)	0.0005 (11)	−0.0001 (11)
C4	0.0177 (13)	0.0132 (13)	0.0199 (13)	−0.0011 (10)	0.0002 (10)	0.0059 (10)
C5	0.0145 (13)	0.0172 (13)	0.0169 (12)	0.0033 (10)	0.0024 (10)	0.0071 (10)
O1	0.0187 (9)	0.0201 (10)	0.0139 (9)	−0.0003 (8)	−0.0016 (7)	0.0044 (7)
O2	0.0216 (10)	0.0232 (10)	0.0162 (9)	−0.0001 (8)	0.0013 (7)	0.0076 (8)
O3	0.0434 (13)	0.0273 (12)	0.0304 (11)	0.0170 (10)	0.0105 (10)	0.0013 (9)
O4	0.0275 (11)	0.0441 (14)	0.0311 (11)	0.0075 (10)	0.0012 (9)	0.0253 (10)
O5	0.0160 (9)	0.0153 (10)	0.0290 (10)	0.0017 (7)	0.0049 (8)	−0.0004 (8)
O6	0.0164 (9)	0.0165 (10)	0.0301 (10)	0.0051 (8)	0.0074 (8)	0.0036 (8)
O7	0.0167 (9)	0.0412 (13)	0.0207 (10)	0.0033 (9)	0.0032 (8)	0.0012 (9)

Y—O1	2.4755 (18)	C2—H2A	0.9700
Y—O1i	2.3319 (19)	C2—H2B	0.9700
Y—O2	2.4658 (19)	C3—C4	1.504 (4)
Y—O3ii	2.303 (2)	C3—H3B	0.9700
Y—O4iii	2.218 (2)	C3—H3A	0.9700
Y—O5	2.3876 (19)	C4—O4	1.249 (3)
Y—O6iv	2.3583 (19)	C4—O3	1.253 (3)
Y—O7	2.391 (2)	C5—O6	1.243 (3)
Y—Yi	4.0005 (11)	C5—O5	1.258 (3)
C1—O2	1.246 (3)	C5—C5iv	1.544 (5)
C1—O1	1.287 (3)	O7—H7A	0.8495
C1—C2	1.491 (4)	O7—H7B	0.8503
C2—C3	1.522 (4)
O4iii—Y—O3ii	106.90 (8)	O5—Y—Yi	86.67 (5)
O4iii—Y—O1i	165.91 (7)	O7—Y—Yi	123.69 (5)
O3ii—Y—O1i	78.99 (7)	O2—Y—Yi	84.57 (5)
O4iii—Y—O6iv	89.63 (8)	O1—Y—Yi	32.56 (4)
O3ii—Y—O6iv	137.24 (8)	C1—Y—Yi	58.88 (5)
O1i—Y—O6iv	77.83 (7)	O2—C1—O1	118.6 (2)
O4iii—Y—O5	82.76 (8)	O2—C1—C2	123.3 (2)
O3ii—Y—O5	151.09 (8)	O1—C1—C2	118.1 (2)
O1i—Y—O5	98.21 (7)	O2—C1—Y	59.11 (13)
O6iv—Y—O5	68.11 (6)	O1—C1—Y	59.69 (12)
O4iii—Y—O7	76.30 (8)	C2—C1—Y	173.79 (19)
O3ii—Y—O7	74.60 (8)	C1—C2—C3	115.8 (2)
O1i—Y—O7	93.43 (7)	C1—C2—H2A	108.3
O6iv—Y—O7	71.50 (7)	C3—C2—H2A	108.3
O5—Y—O7	134.23 (7)	C1—C2—H2B	108.3
O4iii—Y—O2	74.88 (7)	C3—C2—H2B	108.3
O3ii—Y—O2	79.10 (7)	H2A—C2—H2B	107.4
O1i—Y—O2	119.12 (6)	C4—C3—C2	114.3 (2)
O6iv—Y—O2	143.65 (7)	C4—C3—H3B	108.7
O5—Y—O2	77.31 (7)	C2—C3—H3B	108.7
O7—Y—O2	132.82 (7)	C4—C3—H3A	108.7
O4iii—Y—O1	126.14 (7)	C2—C3—H3A	108.7
O3ii—Y—O1	75.63 (8)	H3B—C3—H3A	107.6
O1i—Y—O1	67.40 (7)	O4—C4—O3	123.0 (3)
O6iv—Y—O1	125.61 (6)	O4—C4—C3	118.9 (3)
O5—Y—O1	76.79 (7)	O3—C4—C3	118.0 (2)
O7—Y—O1	147.15 (7)	O6—C5—O5	127.1 (2)
O2—Y—O1	52.31 (6)	O6—C5—C5iv	116.6 (3)
O4iii—Y—C1	100.33 (8)	O5—C5—C5iv	116.3 (3)
O3ii—Y—C1	74.65 (8)	C1—O1—Yi	151.33 (16)
O1i—Y—C1	93.56 (7)	C1—O1—Y	93.65 (15)
O6iv—Y—C1	141.99 (7)	Yi—O1—Y	112.60 (7)
O5—Y—C1	76.83 (7)	C1—O2—Y	95.19 (15)
O7—Y—C1	146.47 (7)	C4—O3—Yv	129.0 (2)
O2—Y—C1	25.70 (7)	C4—O4—Yiii	165.24 (19)
O1—Y—C1	26.66 (7)	C5—O5—Y	118.76 (16)
O4iii—Y—Yi	158.49 (6)	C5—O6—Yiv	120.22 (16)
O3ii—Y—Yi	74.64 (6)	Y—O7—H7A	110.0
O1i—Y—Yi	34.84 (4)	Y—O7—H7B	133.6
O6iv—Y—Yi	103.73 (5)	H7A—O7—H7B	115.4

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O2vi	0.85	2.02	2.867 (5)	175
O7—H7B···O5ii	0.85	1.96	2.812 (4)	175

Table 1

Selected bond lengths (Å)

Y—O1	2.4755 (18)
Y—O1i	2.3319 (19)
Y—O2	2.4658 (19)
Y—O3ii	2.303 (2)
Y—O4iii	2.218 (2)
Y—O5	2.3876 (19)
Y—O6iv	2.3583 (19)
Y—O7	2.391 (2)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H7A⋯O2v	0.85	2.02	2.867 (5)	175
O7—H7B⋯O5ii	0.85	1.96	2.812 (4)	175

Symmetry codes: (ii) ; (v) .