Poly[tetra-aqua-(μ(8)-butane-1,2,3,4-tetra-carboxyl-ato)distrontium].

In the title compound, [Sr(2)(C(8)H(6)O(8))(H(2)O)(4))](n), the Sr(II) ion is coordinated by six O atoms of four symmetry-related ligands and two water mol-ecules in a distorted bicapped trigonal-prismatic environment. The butane-1,2,3,4-tetra-carboxyl-ate ligands lie on inversion centers and bridge Sr(II) ions, forming a three-dimensional network. Within the three-dimensional structure, there are O-H⋯O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms.

Related literature

For general background to coordination polymers, see: Jiang & Xu (2011 ▶); Kam et al. (2007 ▶); Kitagawa et al. (2004 ▶); Liu et al. (2009 ▶). For related structures, see: Ma & Yan (2009 ▶); Wu (2009 ▶).

Experimental

Crystal data

[Sr2(C8H6O8)(H2O)4)]

M = 477.44

Monoclinic,

a = 8.7085 (4) Å

b = 7.9671 (4) Å

c = 10.0697 (4) Å

β = 95.409 (2)°

V = 695.54 (5) Å3

Z = 2

Mo Kα radiation

μ = 7.73 mm−1

T = 296 K

0.25 × 0.15 × 0.13 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2010 ▶) T min = 0.248, T max = 0.433

7782 measured reflections

1746 independent reflections

1443 reflections with I > 2σ(I)

R int = 0.072

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.061

S = 0.97

1746 reflections

100 parameters

H-atom parameters constrained

Δρmax = 0.58 e Å−3

Δρmin = −0.46 e Å−3

Data collection: APEX2 (Bruker, 2010 ▶); cell refinement: SAINT (Bruker, 2010 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2010 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811046265/lh5368sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811046265/lh5368Isup2.hkl

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

[Sr2(C8H6O8)(H2O)4)]	F(000) = 468
Mr = 477.44	Dx = 2.280 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4783 reflections
a = 8.7085 (4) Å	θ = 3.0–28.5°
b = 7.9671 (4) Å	µ = 7.73 mm−1
c = 10.0697 (4) Å	T = 296 K
β = 95.409 (2)°	Tabular, colourless
V = 695.54 (5) Å3	0.25 × 0.15 × 0.13 mm
Z = 2

Bruker APEXII CCD diffractometer	1746 independent reflections
Radiation source: fine-focus sealed tube	1443 reflections with I > 2σ(I)
graphite	Rint = 0.072
Detector resolution: 8.3333 pixels mm-1	θmax = 28.7°, θmin = 3.0°
φ and ω scans	h = −11→11
Absorption correction: multi-scan (SADABS; Bruker, 2010)	k = −8→10
Tmin = 0.248, Tmax = 0.433	l = −13→13
7782 measured reflections

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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.061	H-atom parameters constrained
S = 0.97	w = 1/[σ2(Fo2) + (0.0282P)2] where P = (Fo2 + 2Fc2)/3
1746 reflections	(Δ/σ)max = 0.001
100 parameters	Δρmax = 0.58 e Å−3
0 restraints	Δρmin = −0.46 e Å−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
Sr1	0.22086 (2)	0.04306 (3)	0.60530 (2)	0.01806 (9)
O3	0.2772 (2)	−0.0137 (3)	0.36082 (19)	0.0333 (5)
O1W	0.0092 (2)	0.0561 (3)	0.7699 (2)	0.0285 (5)
H1WA	−0.0857	0.0434	0.7437	0.043*
H1WB	0.0108	0.1483	0.8122	0.043*
O2W	0.4040 (2)	0.2833 (3)	0.5536 (2)	0.0405 (6)
H2WA	0.4624	0.2227	0.5104	0.061*
H2WB	0.4420	0.3623	0.6089	0.061*
O1	0.5067 (2)	−0.3138 (2)	0.03110 (18)	0.0249 (4)
O2	0.69087 (19)	−0.2208 (3)	0.17764 (18)	0.0249 (4)
O4	0.5123 (2)	0.0870 (3)	0.34605 (19)	0.0281 (5)
C1	0.3872 (3)	0.0252 (4)	0.2949 (2)	0.0194 (5)
C2	0.3645 (3)	0.0043 (4)	0.1447 (2)	0.0202 (6)
H2A	0.3107	0.1013	0.1075	0.024*
H2B	0.3001	−0.0920	0.1243	0.024*
C3	0.5739 (3)	−0.1966 (4)	0.0963 (2)	0.0183 (5)
C4	0.5134 (3)	−0.0185 (4)	0.0755 (2)	0.0174 (5)
H4A	0.5914	0.0597	0.1156	0.021*

	U11	U22	U33	U12	U13	U23
Sr1	0.01577 (12)	0.01900 (17)	0.01883 (12)	−0.00105 (10)	−0.00146 (8)	−0.00014 (10)
O3	0.0215 (9)	0.0593 (17)	0.0201 (9)	−0.0077 (9)	0.0072 (8)	−0.0053 (9)
O1W	0.0222 (9)	0.0352 (14)	0.0281 (10)	0.0005 (8)	0.0025 (8)	−0.0077 (9)
O2W	0.0443 (12)	0.0363 (15)	0.0418 (12)	−0.0080 (11)	0.0088 (10)	−0.0065 (11)
O1	0.0272 (9)	0.0188 (12)	0.0268 (9)	−0.0009 (8)	−0.0074 (8)	−0.0012 (8)
O2	0.0249 (9)	0.0185 (11)	0.0295 (10)	0.0031 (8)	−0.0080 (8)	−0.0007 (8)
O4	0.0196 (9)	0.0405 (15)	0.0237 (9)	−0.0016 (8)	−0.0004 (7)	−0.0038 (9)
C1	0.0171 (11)	0.0219 (16)	0.0193 (12)	0.0025 (11)	0.0027 (9)	0.0002 (11)
C2	0.0157 (11)	0.0272 (17)	0.0177 (11)	−0.0007 (10)	0.0016 (9)	0.0003 (11)
C3	0.0181 (11)	0.0195 (16)	0.0176 (11)	−0.0007 (10)	0.0029 (9)	0.0026 (10)
C4	0.0182 (11)	0.0195 (16)	0.0144 (11)	−0.0016 (10)	0.0016 (9)	−0.0024 (10)

Sr1—O4i	2.5491 (18)	O1—Sr1iv	2.5689 (17)
Sr1—O1ii	2.5690 (17)	O1—Sr1v	2.6666 (18)
Sr1—O2W	2.576 (2)	O2—C3	1.260 (3)
Sr1—O1W	2.5946 (19)	O2—Sr1i	2.6565 (18)
Sr1—O3	2.5948 (19)	O2—Sr1v	2.688 (2)
Sr1—O2i	2.6565 (18)	O4—C1	1.260 (3)
Sr1—O1iii	2.6666 (18)	O4—Sr1i	2.5492 (18)
Sr1—O2iii	2.688 (2)	C1—C2	1.516 (3)
Sr1—C3iii	3.040 (3)	C2—C4	1.540 (3)
Sr1—H2WA	2.7869	C2—H2A	0.9615
O3—C1	1.254 (3)	C2—H2B	0.9614
O1W—H1WA	0.8501	C3—C4	1.521 (4)
O1W—H1WB	0.8483	C3—Sr1v	3.040 (3)
O2W—H2WA	0.8499	C4—C4vi	1.544 (5)
O2W—H2WB	0.8836	C4—H4A	0.9800
O1—C3	1.254 (3)
O4i—Sr1—O1ii	157.86 (6)	O4i—Sr1—H2WA	64.6
O4i—Sr1—O2W	76.72 (7)	O1ii—Sr1—H2WA	99.1
O1ii—Sr1—O2W	91.33 (6)	O2W—Sr1—H2WA	17.7
O4i—Sr1—O1W	125.67 (6)	O1W—Sr1—H2WA	143.4
O1ii—Sr1—O1W	76.42 (6)	O3—Sr1—H2WA	63.1
O2W—Sr1—O1W	126.16 (7)	O2i—Sr1—H2WA	80.7
O4i—Sr1—O3	82.01 (6)	O1iii—Sr1—H2WA	141.8
O1ii—Sr1—O3	77.02 (6)	O2iii—Sr1—H2WA	132.8
O2W—Sr1—O3	76.20 (7)	C3iii—Sr1—H2WA	141.7
O1W—Sr1—O3	145.32 (6)	Sr1vii—Sr1—H2WA	125.9
O4i—Sr1—O2i	82.57 (6)	C1—O3—Sr1	132.92 (17)
O1ii—Sr1—O2i	110.61 (6)	Sr1—O1W—H1WA	121.7
O2W—Sr1—O2i	68.51 (6)	Sr1—O1W—H1WB	112.2
O1W—Sr1—O2i	67.72 (6)	H1WA—O1W—H1WB	103.2
O3—Sr1—O2i	143.85 (6)	Sr1—O2W—H2WA	95.3
O4i—Sr1—O1iii	112.11 (6)	Sr1—O2W—H2WB	127.1
O1ii—Sr1—O1iii	70.75 (7)	H2WA—O2W—H2WB	121.4
O2W—Sr1—O1iii	151.93 (6)	C3—O1—Sr1iv	155.35 (16)
O1W—Sr1—O1iii	71.71 (6)	C3—O1—Sr1v	94.78 (14)
O3—Sr1—O1iii	78.74 (6)	Sr1iv—O1—Sr1v	109.25 (7)
O2i—Sr1—O1iii	137.41 (6)	C3—O2—Sr1i	127.36 (17)
O4i—Sr1—O2iii	70.72 (6)	C3—O2—Sr1v	93.61 (16)
O1ii—Sr1—O2iii	118.62 (5)	Sr1i—O2—Sr1v	134.76 (7)
O2W—Sr1—O2iii	147.38 (6)	C1—O4—Sr1i	131.09 (19)
O1W—Sr1—O2iii	76.83 (6)	O3—C1—O4	123.7 (2)
O3—Sr1—O2iii	97.05 (7)	O3—C1—C2	117.8 (2)
O2i—Sr1—O2iii	108.31 (3)	O4—C1—C2	118.5 (2)
O1iii—Sr1—O2iii	48.59 (5)	C1—C2—C4	115.4 (2)
O4i—Sr1—C3iii	90.58 (7)	C1—C2—H2A	108.3
O1ii—Sr1—C3iii	94.92 (6)	C4—C2—H2A	108.6
O2W—Sr1—C3iii	159.30 (7)	C1—C2—H2B	108.6
O1W—Sr1—C3iii	74.52 (6)	C4—C2—H2B	108.0
O3—Sr1—C3iii	86.00 (7)	H2A—C2—H2B	107.8
O2i—Sr1—C3iii	126.65 (6)	O1—C3—O2	122.4 (2)
O1iii—Sr1—C3iii	24.28 (6)	O1—C3—C4	118.9 (2)
O2iii—Sr1—C3iii	24.44 (6)	O2—C3—C4	118.7 (2)
O4i—Sr1—Sr1vii	142.42 (5)	O1—C3—Sr1v	60.94 (13)
O1ii—Sr1—Sr1vii	36.13 (4)	O2—C3—Sr1v	61.95 (14)
O2W—Sr1—Sr1vii	124.41 (5)	C4—C3—Sr1v	172.02 (16)
O1W—Sr1—Sr1vii	70.29 (4)	C3—C4—C2	110.1 (2)
O3—Sr1—Sr1vii	75.10 (4)	C3—C4—C4vi	109.4 (3)
O2i—Sr1—Sr1vii	132.19 (4)	C2—C4—C4vi	111.5 (2)
O1iii—Sr1—Sr1vii	34.62 (4)	C3—C4—H4A	108.6
O2iii—Sr1—Sr1vii	82.83 (3)	C2—C4—H4A	108.6
C3iii—Sr1—Sr1vii	58.82 (5)	C4vi—C4—H4A	108.6

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O3vii	0.85	1.90	2.729 (3)	164.5
O1W—H1WB···O4viii	0.85	2.14	2.944 (3)	159.1
O2W—H2WA···O4	0.85	2.06	2.841 (3)	153.1
O2W—H2WB···O1Wix	0.88	1.99	2.864 (3)	170.1

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O3i	0.85	1.90	2.729 (3)	164.5
O1W—H1WB⋯O4ii	0.85	2.14	2.944 (3)	159.1
O2W—H2WA⋯O4	0.85	2.06	2.841 (3)	153.1
O2W—H2WB⋯O1Wiii	0.88	1.99	2.864 (3)	170.1

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