Poly[μ-aqua-μ4-terephthalato-strontium]

Yang, L.; Zhao, D.; Li, G.

doi:10.1107/S1600536810054486

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 2| February 2011| Page m282

doi:10.1107/S1600536810054486

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Poly[μ-aqua-μ₄-terephthalato-strontium]

Lei Yang,^a ^* Dan Zhao ^a and Guanghua Li ^b

^aThe Department of Physics–Chemistry, Henan Polytechnic University, Jiao Zuo 454150, People's Republic of China, and ^bState Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, People's Republic of China
^*Correspondence e-mail: xcy78413@tom.com

(Received 17 December 2010; accepted 28 December 2010; online 29 January 2011)

In the title compound, [Sr(C₈H₄O₄)(H₂O)]_n, the Sr^II atom exhibits coordination number eight, with six O atoms from four carboxylate groups (two bidentate and two monodentate) of terephthalate ligands and two water O atoms. The SrO₈ polyhedra are linked into inorganic chains by sharing three coplanar O atoms. These inorganic chains are extended along the b axis to form layers in the ab plane by O—C—O linking. Parallel layers are connected by terephthalic groups, forming a three-dimensional framework. O—H⋯O hydrogen-bonding interactions are observed.

Related literature

For hybrid inorganic-organic framework materials, see: Férey et al. (2008 ); Zhang et al. (2009 ).

Experimental

Crystal data

[Sr(C₈H₄O₄)(H₂O)]
M_r = 269.75
Orthorhombic, P b c a
a = 11.8724 (3) Å
b = 7.1308 (1) Å
c = 20.0592 (4) Å
V = 1698.21 (6) Å³
Z = 8
Mo Kα radiation
μ = 6.34 mm⁻¹
T = 296 K
0.24 × 0.21 × 0.19 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.238, T_max = 0.300
6767 measured reflections
1523 independent reflections
1205 reflections with I > 2σ(I)
R_int = 0.043

Refinement

R[F² > 2σ(F²)] = 0.027
wR(F²) = 0.062
S = 1.04
1523 reflections
133 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.50 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H1⋯O3ⁱ	0.84 (3)	2.03 (4)	2.711 (3)	137 (3)
O5—H2⋯O2ⁱⁱ	0.84 (3)	1.92 (3)	2.761 (3)	178 (3)
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]$ ; (ii) $[-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: APEX2 (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810054486/bx2340sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810054486/bx2340Isup2.hkl

checkCIF report

Comment top

Many researchers have focused their attention on the preparation and investigation of hybrid inorganic-organic framework materials because of their intriguing network structures, novel topologies, and potential applications, such as catalysis and optical materials. However the reports about hybrid inorganic-organic frameworks in lead coordination compounds are still less.n this paper, we described the synthesis and crystal structure of a novel hybrid inorganic-organic framework [Sr(C₈H₆O₅)]_n. Sr(II) atom in asymmetric unit are octahedrally coordinated(Fig1) which is coordinated by six oxygen atoms from terephthalate and two oxygen atoms from water. The Sr—O distances (Table 1) ranging from 2.475 (2) to 2.830 (2) Å, Sr polyhedra are linked into one-dimensional inorganic chain by sharing three coplanar O atoms shown as Fig. 2. The one-dimensional inorganic chains are extended along the b axis to form ab plane by O–C–O linking. The parallel layers are connected by terephthalic groups to form the three-dimensional framework, as shown in Fig. 3.

Related literature top

For related literature [on what subject?], see: Férey et al. (2008);Zhang et al. (2009).

Experimental top

The suspension of the admixture Sr(NO₃)₂ (1 mmol) and NaOH (0.02 g) in the water (5 ml) was slowly added into the solution of terephthalic acid (2 mmol) in ethanol (10 ml) in stirred. The resulting mixture was further stirred for 4 h at 120 °C. The filtrate pH was adjusted to 3 by hydrochloric acid. The final reaction mixture was heated in a sealed Teflon-lined steel autoclave at 180 °C for 7 days. After crystallization, the autoclave was cooled down to room temperature and the yellow block single crystals were filtered, washed by distilled water and dried in air.

Computing details top

Data collection: APEX2 (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXS97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. Asymmetric unit of compound with thermal ellipsoids.Displacement ellipsoids are drawn at the 50% probability level.
	Fig. 2. Sr polyhedra extended along the b axis to form one-dimensional chain by sharing three co-planar O atoms
	Fig. 3. View of the structure along [0 0 1] direction, layers connected by terephthalic groups forming the three-dimensional framework

Poly[µ-aqua-µ₄-terephthalato-strontium] top

Crystal data top

[Sr(C₈H₄O₄)(H₂O)]	F(000) = 1056
M_r = 269.75	D_x = 2.110 Mg m⁻³
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 1205 reflections
a = 11.8724 (3) Å	θ = 2.7–25.2°
b = 7.1308 (1) Å	µ = 6.34 mm⁻¹
c = 20.0592 (4) Å	T = 296 K
V = 1698.21 (6) Å³	Block, yellow
Z = 8	0.24 × 0.21 × 0.19 mm

Data collection top

Bruker APEXII CCD diffractometer	1523 independent reflections
Radiation source: fine-focus sealed tube	1205 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.043
phi and ω scans	θ_max = 25.2°, θ_min = 2.7°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −14→8
T_min = 0.238, T_max = 0.300	k = −8→8
6767 measured reflections	l = −16→23

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.062	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ²(F_o²) + (0.0293P)² + 0.3991P] where P = (F_o² + 2F_c²)/3
1523 reflections	(Δ/σ)_max = 0.001
133 parameters	Δρ_max = 0.36 e Å⁻³
3 restraints	Δρ_min = −0.50 e Å⁻³

Crystal data top

[Sr(C₈H₄O₄)(H₂O)]	V = 1698.21 (6) Å³
M_r = 269.75	Z = 8
Orthorhombic, Pbca	Mo Kα radiation
a = 11.8724 (3) Å	µ = 6.34 mm⁻¹
b = 7.1308 (1) Å	T = 296 K
c = 20.0592 (4) Å	0.24 × 0.21 × 0.19 mm

Data collection top

Bruker APEXII CCD diffractometer	1523 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	1205 reflections with I > 2σ(I)
T_min = 0.238, T_max = 0.300	R_int = 0.043
6767 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.027	3 restraints
wR(F²) = 0.062	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	Δρ_max = 0.36 e Å⁻³
1523 reflections	Δρ_min = −0.50 e Å⁻³
133 parameters

Special details top

Experimental. Aromatic H atoms were refined as riding atoms,with C—H=0.93Å and H atoms were calculated as U_iso(H) = 1.2Ueq(carrier C). The H atoms of water were fixed in the refinements, with U_iso(H)=1.5Ueq(carrier O)

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
Sr1	0.93510 (3)	0.61190 (4)	0.736154 (15)	0.01731 (12)
O1	0.9182 (2)	0.2855 (3)	0.68486 (11)	0.0220 (6)
O5	1.1323 (2)	0.4455 (3)	0.72230 (11)	0.0244 (6)
C3	0.9508 (3)	0.2525 (5)	0.54589 (17)	0.0211 (8)
H3A	1.0068	0.3131	0.5701	0.025*
C7	0.7700 (3)	0.1036 (4)	0.54088 (16)	0.0214 (8)
H7A	0.7041	0.0651	0.5618	0.026*
C2	0.8539 (3)	0.1900 (4)	0.57787 (15)	0.0157 (7)
C1	0.8405 (3)	0.2083 (4)	0.65225 (16)	0.0174 (8)
C4	0.9639 (3)	0.2244 (4)	0.47790 (17)	0.0240 (9)
H4A	1.0285	0.2671	0.4566	0.029*
C6	0.7834 (3)	0.0740 (4)	0.47334 (15)	0.0213 (8)
H6A	0.7269	0.0147	0.4491	0.026*
C5	0.8814 (3)	0.1331 (4)	0.44164 (15)	0.0177 (8)
C8	0.8981 (3)	0.0856 (4)	0.36917 (17)	0.0209 (8)
O4	0.9836 (2)	0.1481 (3)	0.33885 (11)	0.0287 (6)
O3	0.8280 (2)	−0.0220 (4)	0.34186 (11)	0.0306 (6)
O2	0.7543 (2)	0.1373 (3)	0.67879 (11)	0.0244 (6)
H1	1.169 (2)	0.446 (5)	0.6868 (9)	0.037*
H2	1.165 (3)	0.505 (5)	0.7530 (11)	0.037*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.01707 (19)	0.01812 (17)	0.0167 (2)	−0.00088 (15)	−0.00052 (14)	0.00049 (13)
O1	0.0225 (16)	0.0238 (13)	0.0197 (14)	−0.0034 (11)	−0.0046 (11)	−0.0034 (10)
O5	0.0202 (15)	0.0312 (13)	0.0217 (15)	−0.0025 (12)	0.0011 (11)	−0.0052 (11)
C3	0.018 (2)	0.0254 (17)	0.020 (2)	−0.0038 (16)	−0.0037 (16)	−0.0019 (14)
C7	0.018 (2)	0.0235 (17)	0.023 (2)	−0.0042 (17)	0.0020 (15)	−0.0003 (14)
C2	0.019 (2)	0.0128 (15)	0.0153 (18)	0.0005 (15)	−0.0006 (15)	−0.0004 (13)
C1	0.018 (2)	0.0125 (16)	0.021 (2)	0.0061 (15)	−0.0018 (16)	0.0023 (13)
C4	0.020 (2)	0.028 (2)	0.024 (2)	−0.0045 (16)	0.0041 (16)	0.0023 (16)
C6	0.022 (2)	0.0232 (17)	0.0189 (19)	−0.0050 (16)	−0.0033 (16)	−0.0031 (14)
C5	0.021 (2)	0.0184 (17)	0.0135 (18)	0.0028 (16)	−0.0005 (15)	0.0006 (13)
C8	0.025 (2)	0.0207 (18)	0.0173 (19)	0.0105 (17)	−0.0007 (16)	0.0036 (15)
O4	0.0312 (16)	0.0344 (15)	0.0207 (14)	−0.0004 (13)	0.0055 (12)	0.0060 (10)
O3	0.0283 (17)	0.0438 (16)	0.0197 (14)	−0.0007 (13)	−0.0025 (11)	−0.0107 (11)
O2	0.0207 (15)	0.0352 (14)	0.0172 (13)	−0.0034 (11)	0.0028 (11)	0.0004 (10)

Geometric parameters (Å, º) top

Sr1—O4ⁱ	2.475 (2)	C3—H3A	0.9300
Sr1—O2ⁱⁱ	2.533 (2)	C7—C6	1.380 (4)
Sr1—O1	2.553 (2)	C7—C2	1.386 (5)
Sr1—O3ⁱⁱⁱ	2.554 (2)	C7—H7A	0.9300
Sr1—O5	2.639 (3)	C2—C1	1.506 (4)
Sr1—O5^iv	2.645 (2)	C1—O2	1.259 (4)
Sr1—O1^iv	2.660 (2)	C4—C5	1.383 (5)
Sr1—O4ⁱⁱⁱ	2.830 (2)	C4—H4A	0.9300
Sr1—C8ⁱⁱⁱ	3.049 (3)	C6—C5	1.391 (5)
Sr1—Sr1^iv	3.9237 (3)	C6—H6A	0.9300
Sr1—Sr1^v	3.9237 (3)	C5—C8	1.506 (4)
Sr1—H2	2.86 (3)	C8—O3	1.257 (4)
O1—C1	1.258 (4)	C8—O4	1.265 (4)
O1—Sr1^v	2.660 (2)	C8—Sr1^vi	3.049 (3)
O5—Sr1^v	2.645 (2)	O4—Sr1ⁱ	2.475 (2)
O5—H1	0.84 (3)	O4—Sr1^vi	2.830 (2)
O5—H2	0.84 (3)	O3—Sr1^vi	2.554 (2)
C3—C4	1.387 (4)	O2—Sr1^vii	2.533 (2)
C3—C2	1.391 (5)

O4ⁱ—Sr1—O2ⁱⁱ	91.19 (8)	Sr1^iv—Sr1—Sr1^v	130.650 (17)
O4ⁱ—Sr1—O1	114.60 (7)	O4ⁱ—Sr1—H2	83.3 (7)
O2ⁱⁱ—Sr1—O1	79.18 (7)	O2ⁱⁱ—Sr1—H2	157.2 (3)
O4ⁱ—Sr1—O3ⁱⁱⁱ	150.75 (8)	O1—Sr1—H2	83.1 (5)
O2ⁱⁱ—Sr1—O3ⁱⁱⁱ	87.30 (8)	O3ⁱⁱⁱ—Sr1—H2	108.1 (6)
O1—Sr1—O3ⁱⁱⁱ	93.81 (8)	O5—Sr1—H2	17.1 (3)
O4ⁱ—Sr1—O5	84.31 (8)	O5^iv—Sr1—H2	119.5 (5)
O2ⁱⁱ—Sr1—O5	140.53 (7)	O1^iv—Sr1—H2	55.1 (4)
O1—Sr1—O5	67.51 (7)	O4ⁱⁱⁱ—Sr1—H2	62.9 (7)
O3ⁱⁱⁱ—Sr1—O5	114.60 (8)	C8ⁱⁱⁱ—Sr1—H2	84.9 (6)
O4ⁱ—Sr1—O5^iv	71.78 (7)	Sr1^iv—Sr1—H2	81.4 (6)
O2ⁱⁱ—Sr1—O5^iv	79.06 (7)	Sr1^v—Sr1—H2	50.6 (6)
O1—Sr1—O5^iv	157.43 (8)	C1—O1—Sr1	131.8 (2)
O3ⁱⁱⁱ—Sr1—O5^iv	79.26 (8)	C1—O1—Sr1^v	125.89 (19)
O5—Sr1—O5^iv	134.90 (7)	Sr1—O1—Sr1^v	97.63 (7)
O4ⁱ—Sr1—O1^iv	77.57 (8)	Sr1—O5—Sr1^v	95.90 (8)
O2ⁱⁱ—Sr1—O1^iv	144.96 (7)	Sr1—O5—H1	124 (3)
O1—Sr1—O1^iv	135.71 (6)	Sr1^v—O5—H1	116 (2)
O3ⁱⁱⁱ—Sr1—O1^iv	87.05 (8)	Sr1—O5—H2	96 (2)
O5—Sr1—O1^iv	72.00 (7)	Sr1^v—O5—H2	111 (2)
O5^iv—Sr1—O1^iv	65.91 (7)	H1—O5—H2	111.8 (18)
O4ⁱ—Sr1—O4ⁱⁱⁱ	144.69 (3)	C4—C3—C2	120.0 (3)
O2ⁱⁱ—Sr1—O4ⁱⁱⁱ	123.93 (8)	C4—C3—H3A	120.0
O1—Sr1—O4ⁱⁱⁱ	73.27 (7)	C2—C3—H3A	120.0
O3ⁱⁱⁱ—Sr1—O4ⁱⁱⁱ	48.14 (8)	C6—C7—C2	120.7 (3)
O5—Sr1—O4ⁱⁱⁱ	66.54 (7)	C6—C7—H7A	119.6
O5^iv—Sr1—O4ⁱⁱⁱ	114.92 (7)	C2—C7—H7A	119.6
O1^iv—Sr1—O4ⁱⁱⁱ	74.82 (7)	C7—C2—C3	119.3 (3)
O4ⁱ—Sr1—C8ⁱⁱⁱ	155.18 (9)	C7—C2—C1	119.5 (3)
O2ⁱⁱ—Sr1—C8ⁱⁱⁱ	107.62 (9)	C3—C2—C1	121.1 (3)
O1—Sr1—C8ⁱⁱⁱ	85.42 (8)	O1—C1—O2	123.5 (3)
O3ⁱⁱⁱ—Sr1—C8ⁱⁱⁱ	23.91 (9)	O1—C1—C2	118.4 (3)
O5—Sr1—C8ⁱⁱⁱ	90.71 (9)	O2—C1—C2	118.0 (3)
O5^iv—Sr1—C8ⁱⁱⁱ	95.51 (8)	C5—C4—C3	120.4 (3)
O1^iv—Sr1—C8ⁱⁱⁱ	77.77 (8)	C5—C4—H4A	119.8
O4ⁱⁱⁱ—Sr1—C8ⁱⁱⁱ	24.48 (9)	C3—C4—H4A	119.8
O4ⁱ—Sr1—Sr1^iv	45.92 (5)	C7—C6—C5	119.9 (3)
O2ⁱⁱ—Sr1—Sr1^iv	110.37 (5)	C7—C6—H6A	120.1
O1—Sr1—Sr1^iv	156.42 (6)	C5—C6—H6A	120.1
O3ⁱⁱⁱ—Sr1—Sr1^iv	107.83 (6)	C4—C5—C6	119.7 (3)
O5—Sr1—Sr1^iv	94.30 (5)	C4—C5—C8	121.3 (3)
O5^iv—Sr1—Sr1^iv	42.00 (6)	C6—C5—C8	118.9 (3)
O1^iv—Sr1—Sr1^iv	40.16 (5)	O3—C8—O4	122.5 (3)
O4ⁱⁱⁱ—Sr1—Sr1^iv	114.35 (5)	O3—C8—C5	118.1 (3)
C8ⁱⁱⁱ—Sr1—Sr1^iv	110.64 (6)	O4—C8—C5	119.4 (3)
O4ⁱ—Sr1—Sr1^v	124.15 (6)	O3—C8—Sr1^vi	55.42 (17)
O2ⁱⁱ—Sr1—Sr1^v	118.56 (5)	O4—C8—Sr1^vi	68.04 (18)
O1—Sr1—Sr1^v	42.22 (5)	C5—C8—Sr1^vi	165.4 (2)
O3ⁱⁱⁱ—Sr1—Sr1^v	81.37 (6)	C8—O4—Sr1ⁱ	148.1 (2)
O5—Sr1—Sr1^v	42.11 (5)	C8—O4—Sr1^vi	87.5 (2)
O5^iv—Sr1—Sr1^v	153.08 (5)	Sr1ⁱ—O4—Sr1^vi	95.16 (7)
O1^iv—Sr1—Sr1^v	94.67 (5)	C8—O3—Sr1^vi	100.7 (2)
O4ⁱⁱⁱ—Sr1—Sr1^v	38.92 (5)	C1—O2—Sr1^vii	160.4 (2)
C8ⁱⁱⁱ—Sr1—Sr1^v	60.86 (7)

O4ⁱ—Sr1—O1—C1	−89.6 (3)	C4—C3—C2—C1	176.3 (3)
O2ⁱⁱ—Sr1—O1—C1	−3.3 (3)	Sr1—O1—C1—O2	−80.0 (4)
O3ⁱⁱⁱ—Sr1—O1—C1	83.2 (3)	Sr1^v—O1—C1—O2	70.1 (4)
O5—Sr1—O1—C1	−161.7 (3)	Sr1—O1—C1—C2	103.5 (3)
O5^iv—Sr1—O1—C1	12.3 (4)	Sr1^v—O1—C1—C2	−106.4 (3)
O1^iv—Sr1—O1—C1	172.9 (3)	C7—C2—C1—O1	179.3 (3)
O4ⁱⁱⁱ—Sr1—O1—C1	127.3 (3)	C3—C2—C1—O1	1.6 (5)
C8ⁱⁱⁱ—Sr1—O1—C1	105.6 (3)	C7—C2—C1—O2	2.6 (4)
Sr1^iv—Sr1—O1—C1	−119.9 (3)	C3—C2—C1—O2	−175.2 (3)
Sr1^v—Sr1—O1—C1	155.9 (3)	C2—C3—C4—C5	−0.5 (5)
O4ⁱ—Sr1—O1—Sr1^v	114.47 (9)	C2—C7—C6—C5	−0.7 (5)
O2ⁱⁱ—Sr1—O1—Sr1^v	−159.22 (9)	C3—C4—C5—C6	1.8 (5)
O3ⁱⁱⁱ—Sr1—O1—Sr1^v	−72.71 (8)	C3—C4—C5—C8	−174.5 (3)
O5—Sr1—O1—Sr1^v	42.38 (7)	C7—C6—C5—C4	−1.2 (5)
O5^iv—Sr1—O1—Sr1^v	−143.65 (15)	C7—C6—C5—C8	175.1 (3)
O1^iv—Sr1—O1—Sr1^v	16.97 (6)	C4—C5—C8—O3	169.2 (3)
O4ⁱⁱⁱ—Sr1—O1—Sr1^v	−28.62 (7)	C6—C5—C8—O3	−7.0 (4)
C8ⁱⁱⁱ—Sr1—O1—Sr1^v	−50.29 (9)	C4—C5—C8—O4	−7.9 (5)
Sr1^iv—Sr1—O1—Sr1^v	84.17 (13)	C6—C5—C8—O4	175.8 (3)
O4ⁱ—Sr1—O5—Sr1^v	−162.10 (8)	C4—C5—C8—Sr1^vi	109.6 (10)
O2ⁱⁱ—Sr1—O5—Sr1^v	−77.17 (13)	C6—C5—C8—Sr1^vi	−66.7 (11)
O1—Sr1—O5—Sr1^v	−42.49 (7)	O3—C8—O4—Sr1ⁱ	84.8 (5)
O3ⁱⁱⁱ—Sr1—O5—Sr1^v	41.17 (9)	C5—C8—O4—Sr1ⁱ	−98.2 (5)
O5^iv—Sr1—O5—Sr1^v	140.77 (9)	Sr1^vi—C8—O4—Sr1ⁱ	95.7 (4)
O1^iv—Sr1—O5—Sr1^v	119.15 (8)	O3—C8—O4—Sr1^vi	−11.0 (3)
O4ⁱⁱⁱ—Sr1—O5—Sr1^v	38.30 (6)	C5—C8—O4—Sr1^vi	166.1 (3)
C8ⁱⁱⁱ—Sr1—O5—Sr1^v	42.26 (8)	O4—C8—O3—Sr1^vi	12.4 (4)
Sr1^iv—Sr1—O5—Sr1^v	153.01 (5)	C5—C8—O3—Sr1^vi	−164.7 (2)
C6—C7—C2—C3	2.0 (5)	O1—C1—O2—Sr1^vii	74.7 (7)
C6—C7—C2—C1	−175.8 (3)	C2—C1—O2—Sr1^vii	−108.7 (6)
C4—C3—C2—C7	−1.4 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H1···O3^viii	0.84 (3)	2.03 (4)	2.711 (3)	137 (3)
O5—H2···O2^iv	0.84 (3)	1.92 (3)	2.761 (3)	178 (3)

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

Experimental details

Crystal data
Chemical formula	[Sr(C₈H₄O₄)(H₂O)]
M_r	269.75
Crystal system, space group	Orthorhombic, Pbca
Temperature (K)	296
a, b, c (Å)	11.8724 (3), 7.1308 (1), 20.0592 (4)
V (Å³)	1698.21 (6)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	6.34
Crystal size (mm)	0.24 × 0.21 × 0.19

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.238, 0.300
No. of measured, independent and observed [I > 2σ(I)] reflections	6767, 1523, 1205
R_int	0.043
(sin θ/λ)_max (Å⁻¹)	0.598

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.027, 0.062, 1.04
No. of reflections	1523
No. of parameters	133
No. of restraints	3
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.36, −0.50

Computer programs: APEX2 (Bruker, 2001), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H1···O3ⁱ	0.84 (3)	2.03 (4)	2.711 (3)	137 (3)
O5—H2···O2ⁱⁱ	0.84 (3)	1.92 (3)	2.761 (3)	178 (3)

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

Acknowledgements

We would like to thank the National Science Fund for Young Scholars of China (No. 20901028/B0107) and the Open Research Fund of the State Key Laboratory of Inorganic Synthesis and Preparative Chemistry (grant No. 2011–26).

References

Bruker (2001). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Férey, G. (2008). Chem. Soc. Rev. 37, 191–214. Web of Science PubMed Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Zhang, L., Zhao, J. L., Lin, Q. P., Qin, Y. Y., Zhang, J., Yin, P. X., Cheng, J. K. & Yao, Y. G. (2009). Inorg. Chem. 48, 6517–6525. Web of Science CSD CrossRef PubMed CAS Google Scholar