Poly[μ2-aqua-aqua-μ5-naphthalene-2,7-disulfonato-strontium]

Gao, S.; Ng, S.W.

doi:10.1107/S1600536811047313

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 12| December 2011| Page m1787

https://doi.org/10.1107/S1600536811047313

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Poly[μ₂-aqua-aqua-μ₅-naphthalene-2,7-disulfonato-strontium]

Shan Gao ^a and Seik Weng Ng ^b,^c ^*

^aKey Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Heilongjiang University, Harbin 150080, People's Republic of China, ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and ^cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 4 November 2011; accepted 8 November 2011; online 19 November 2011)

In the crystal structure of the polymeric title compound, [Sr(C₁₀H₆O₆S₂)(H₂O)₂]_n, the naphthalene-2,7-disulfonate dianion uses one –SO₃ unit to bind to two Sr^II cations and the other –SO₃ unit to bind to three Sr^II cations; of the two coordinated water molecules, one is monodentate to one Sr^II cation, whereas the other bridges two Sr^II cations. The μ₅-bridging mode of the dianon and the μ₂-bridging mode of the water molecule generate a polymeric three-dimensional network which is consolidated by O—H⋯O hydrogen bonds. The Sr^II cation exists in an undefined eight-coordinate environment.

Related literature

For a review of metal arenesulfonates, see: Cai (2004 ). For a related strontium naphthalenedisulfonate, see: Cai et al. (2001 ).

Experimental

Crystal data

[Sr(C₁₀H₆O₆S₂)(H₂O)₂]
M_r = 409.92
Orthorhombic, P n a 2₁
a = 13.064 (6) Å
b = 19.324 (9) Å
c = 5.1989 (17) Å
V = 1312.5 (9) Å³
Z = 4
Mo Kα radiation
μ = 4.46 mm⁻¹
T = 293 K
0.18 × 0.12 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.501, T_max = 0.616
11845 measured reflections
2962 independent reflections
2646 reflections with I > 2σ(I)
R_int = 0.040

Refinement

R[F² > 2σ(F²)] = 0.028
wR(F²) = 0.071
S = 1.04
2962 reflections
190 parameters
1 restraint
H-atom parameters constrained
Δρ_max = 0.60 e Å⁻³
Δρ_min = −0.51 e Å⁻³
Absolute structure: Flack (1983 ), 1584 Friedel pairs
Flack parameter: −0.011 (6)

Table 1
Selected bond lengths (Å)

Sr1—O1	2.612 (2)
Sr1—O2ⁱ	2.494 (2)
Sr1—O3ⁱⁱ	2.595 (2)
Sr1—O5ⁱⁱⁱ	2.549 (2)
Sr1—O6^iv	2.540 (2)
Sr1—O1w	2.614 (2)
Sr1—O2w	2.756 (3)
Sr1—O2w^v	2.974 (3)
Symmetry codes: (i) $[-x, -y+1, z-{\script{1\over 2}}]$ ; (ii) $[-x, -y+1, z+{\script{1\over 2}}]$ ; (iii) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (v) x, y, z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H1w1⋯O4^vi	0.84	2.29	3.066 (4)	154
O1w—H1w2⋯O4^vii	0.84	2.27	2.904 (4)	132
O2w—H2w2⋯O4^vii	0.84	2.03	2.856 (3)	167
Symmetry codes: (vi) $[-x+1, -y+1, z+{\script{1\over 2}}]$ ; (vii) $[-x+1, -y+1, z-{\script{1\over 2}}]$ .

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S1600536811047313/xu5381sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536811047313/xu5381Isup2.hkl

checkCIF report

Comment top

A review of metal arenesulfonates that are synthesized in aqueous medium explains the reasons for the ability of the ions to form stable metal-organic frameworks owing to multiple coordination modes of the sulfonate –SO₃ groups (Cai, 2004). Among the divalent metal derivatives, the strontium system has been less studied (Cai et al., 2001). In the crystal structure of Sr(H₂O)₂(C₁₀H₆O₆S₂), the C₁₀H₆O₆S₂^2- dianion uses one –SO₃ unit to bind to two Sr^II atoms and the other –SO₃ unit to bind to three Sr^II atoms; of the two water molecules, one is monodentate to one Sr atom whereas the other bridge two Sr atoms (Scheme I, Fig. 1). The µ₅-bridging mode of the dianon and the µ₂-bridging mode of the water molecule generates a polymeric three-dimensional network; the network is consolidated by O–H···O hydrogen bonds (Table 1). The Sr atom exists in an undefined eight-coordinate environment.

Related literature top

For a review of metal arenesulfonates, see: Cai (2004). For a related strontium naphthalenedisulfonate, see: Cai et al. (2001).

Experimental top

Strontium nitrate (1 mmol) and sodium naphthalene-2,7-disulfonate (1 mmol) were dissolved in water (10 ml). The solution was filtered and set aside; colorless crystals were isolated from the filtrate after several days.

Structure description top

For a review of metal arenesulfonates, see: Cai (2004). For a related strontium naphthalenedisulfonate, see: Cai et al. (2001).

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalClear (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of a fragment of polymeric Sr(H₂O)₂(C₁₀H₆O₆S₂) at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.

Poly[µ₂-aqua-aqua-µ₅-naphthalene-2,7-disulfonato-strontium] top

Crystal data top

[Sr(C₁₀H₆O₆S₂)(H₂O)₂]	F(000) = 816
M_r = 409.92	D_x = 2.075 Mg m⁻³
Orthorhombic, Pna2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2n	Cell parameters from 10271 reflections
a = 13.064 (6) Å	θ = 3.1–27.5°
b = 19.324 (9) Å	µ = 4.46 mm⁻¹
c = 5.1989 (17) Å	T = 293 K
V = 1312.5 (9) Å³	Prism, colorless
Z = 4	0.18 × 0.12 × 0.12 mm

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2962 independent reflections
Radiation source: fine-focus sealed tube	2646 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.040
ω scan	θ_max = 27.5°, θ_min = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −16→16
T_min = 0.501, T_max = 0.616	k = −24→25
11845 measured reflections	l = −6→6

Refinement top

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)] = 0.028	H-atom parameters constrained
wR(F²) = 0.071	w = 1/[σ²(F_o²) + (0.0383P)²] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.001
2962 reflections	Δρ_max = 0.60 e Å⁻³
190 parameters	Δρ_min = −0.51 e Å⁻³
1 restraint	Absolute structure: Flack (1983), 1584 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.011 (6)

Crystal data top

[Sr(C₁₀H₆O₆S₂)(H₂O)₂]	V = 1312.5 (9) Å³
M_r = 409.92	Z = 4
Orthorhombic, Pna2₁	Mo Kα radiation
a = 13.064 (6) Å	µ = 4.46 mm⁻¹
b = 19.324 (9) Å	T = 293 K
c = 5.1989 (17) Å	0.18 × 0.12 × 0.12 mm

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2962 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	2646 reflections with I > 2σ(I)
T_min = 0.501, T_max = 0.616	R_int = 0.040
11845 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.028	H-atom parameters constrained
wR(F²) = 0.071	Δρ_max = 0.60 e Å⁻³
S = 1.04	Δρ_min = −0.51 e Å⁻³
2962 reflections	Absolute structure: Flack (1983), 1584 Friedel pairs
190 parameters	Absolute structure parameter: −0.011 (6)
1 restraint

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Sr1	−0.008465 (18)	0.635847 (12)	0.49937 (9)	0.02043 (9)
S1	0.14037 (4)	0.47764 (3)	0.49983 (18)	0.01857 (14)
S2	0.64351 (5)	0.24848 (3)	0.49376 (18)	0.01863 (14)
O1	0.14590 (15)	0.55148 (11)	0.5589 (4)	0.0294 (6)
O2	0.12497 (16)	0.43544 (11)	0.7268 (4)	0.0256 (5)
O3	0.06622 (16)	0.46443 (12)	0.2980 (4)	0.0285 (5)
O4	0.74894 (15)	0.27350 (11)	0.5219 (6)	0.0310 (5)
O5	0.63559 (18)	0.19599 (11)	0.2968 (4)	0.0294 (5)
O6	0.59963 (17)	0.22808 (12)	0.7371 (4)	0.0288 (5)
O1w	0.13881 (15)	0.72744 (11)	0.5039 (7)	0.0376 (5)
H1w1	0.1543	0.7369	0.6567	0.056*
H1w2	0.1903	0.7113	0.4278	0.056*
O2w	0.08346 (17)	0.63163 (10)	0.0225 (6)	0.0315 (5)
H2w1	0.1187	0.5953	0.0242	0.038*
H2w2	0.1257	0.6644	0.0242	0.038*
C1	0.3192 (2)	0.40460 (13)	0.4846 (8)	0.0208 (5)
H1	0.2958	0.3826	0.6325	0.025*
C2	0.2615 (2)	0.45518 (15)	0.3713 (5)	0.0187 (6)
C3	0.2939 (2)	0.48863 (15)	0.1474 (6)	0.0240 (7)
H3	0.2526	0.5222	0.0717	0.029*
C4	0.3857 (2)	0.47221 (15)	0.0399 (6)	0.0230 (7)
H4	0.4072	0.4949	−0.1083	0.028*
C5	0.4485 (2)	0.42073 (15)	0.1525 (6)	0.0195 (6)
C6	0.4143 (2)	0.38578 (15)	0.3764 (6)	0.0196 (6)
C7	0.4773 (2)	0.33370 (14)	0.4836 (9)	0.0205 (6)
H7	0.4555	0.3097	0.6287	0.025*
C8	0.5694 (2)	0.31837 (15)	0.3767 (5)	0.0196 (6)
C9	0.6062 (3)	0.35484 (15)	0.1587 (6)	0.0247 (7)
H9	0.6707	0.3451	0.0920	0.030*
C10	0.5462 (2)	0.40419 (15)	0.0481 (6)	0.0241 (7)
H10	0.5694	0.4274	−0.0974	0.029*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.02020 (14)	0.02060 (13)	0.02050 (13)	−0.00055 (9)	−0.00006 (17)	0.00153 (17)
S1	0.0168 (3)	0.0174 (3)	0.0215 (3)	0.0006 (2)	0.0002 (4)	−0.0011 (4)
S2	0.0182 (3)	0.0182 (3)	0.0195 (3)	−0.0003 (2)	−0.0002 (4)	0.0013 (4)
O1	0.0256 (12)	0.0186 (10)	0.0439 (18)	0.0013 (8)	0.0031 (10)	−0.0054 (9)
O2	0.0238 (12)	0.0276 (12)	0.0252 (11)	−0.0004 (9)	0.0028 (9)	0.0027 (9)
O3	0.0219 (12)	0.0363 (13)	0.0273 (11)	0.0012 (10)	−0.0039 (10)	−0.0047 (10)
O4	0.0206 (10)	0.0311 (11)	0.0414 (13)	−0.0040 (8)	−0.0073 (12)	0.0085 (14)
O5	0.0360 (14)	0.0235 (12)	0.0287 (12)	0.0056 (9)	−0.0051 (11)	−0.0047 (10)
O6	0.0355 (14)	0.0249 (11)	0.0260 (12)	0.0005 (10)	0.0050 (10)	0.0045 (10)
O1w	0.0341 (12)	0.0421 (13)	0.0366 (12)	−0.0059 (9)	−0.0008 (16)	−0.0050 (16)
O2w	0.0313 (11)	0.0307 (11)	0.0324 (13)	−0.0031 (9)	0.0037 (14)	−0.0060 (11)
C1	0.0234 (13)	0.0192 (12)	0.0197 (12)	−0.0033 (10)	−0.0004 (17)	−0.0003 (15)
C2	0.0143 (14)	0.0210 (14)	0.0210 (14)	−0.0008 (11)	−0.0003 (11)	−0.0046 (12)
C3	0.0243 (17)	0.0208 (14)	0.0270 (15)	0.0016 (12)	−0.0040 (14)	0.0028 (13)
C4	0.0253 (15)	0.0245 (14)	0.0193 (19)	−0.0021 (11)	−0.0002 (13)	0.0025 (12)
C5	0.0208 (16)	0.0184 (14)	0.0192 (15)	−0.0036 (12)	−0.0012 (12)	−0.0001 (12)
C6	0.0210 (16)	0.0159 (14)	0.0219 (14)	−0.0016 (12)	−0.0027 (12)	−0.0023 (12)
C7	0.0221 (13)	0.0210 (13)	0.0185 (14)	−0.0015 (10)	−0.0001 (16)	0.0049 (18)
C8	0.0224 (16)	0.0162 (14)	0.0202 (13)	0.0005 (12)	−0.0027 (12)	−0.0015 (11)
C9	0.0236 (17)	0.0257 (16)	0.0248 (16)	−0.0001 (12)	0.0064 (14)	0.0002 (13)
C10	0.0271 (16)	0.0243 (15)	0.021 (2)	0.0001 (12)	0.0041 (12)	0.0032 (12)

Geometric parameters (Å, º) top

Sr1—O1	2.612 (2)	O1w—H1w2	0.8400
Sr1—O2ⁱ	2.494 (2)	O2w—Sr1^viii	2.974 (3)
Sr1—O3ⁱⁱ	2.595 (2)	O2w—H2w1	0.8400
Sr1—O5ⁱⁱⁱ	2.549 (2)	O2w—H2w2	0.8400
Sr1—O6^iv	2.540 (2)	C1—C2	1.367 (4)
Sr1—O1w	2.614 (2)	C1—C6	1.412 (4)
Sr1—O2w	2.756 (3)	C1—H1	0.9300
Sr1—O2w^v	2.974 (3)	C2—C3	1.397 (4)
S1—O2	1.448 (2)	C3—C4	1.360 (4)
S1—O3	1.451 (2)	C3—H3	0.9300
S1—O1	1.461 (2)	C4—C5	1.417 (4)
S1—C2	1.772 (3)	C4—H4	0.9300
S2—O6	1.444 (2)	C5—C6	1.418 (4)
S2—O5	1.445 (2)	C5—C10	1.423 (4)
S2—O4	1.467 (2)	C6—C7	1.414 (4)
S2—C8	1.769 (3)	C7—C8	1.358 (4)
O2—Sr1ⁱⁱ	2.494 (2)	C7—H7	0.9300
O3—Sr1ⁱ	2.595 (2)	C8—C9	1.418 (4)
O5—Sr1^vi	2.549 (2)	C9—C10	1.362 (4)
O6—Sr1^vii	2.540 (2)	C9—H9	0.9300
O1w—H1w1	0.8400	C10—H10	0.9300

O2ⁱ—Sr1—O6^iv	78.25 (8)	S1—O3—Sr1ⁱ	139.31 (13)
O2ⁱ—Sr1—O5ⁱⁱⁱ	101.47 (8)	S2—O5—Sr1^vi	142.79 (14)
O6^iv—Sr1—O5ⁱⁱⁱ	72.56 (8)	S2—O6—Sr1^vii	147.99 (15)
O2ⁱ—Sr1—O3ⁱⁱ	75.53 (8)	Sr1—O1w—H1w1	109.5
O6^iv—Sr1—O3ⁱⁱ	135.12 (7)	Sr1—O1w—H1w2	109.5
O5ⁱⁱⁱ—Sr1—O3ⁱⁱ	77.77 (8)	H1w1—O1w—H1w2	109.5
O2ⁱ—Sr1—O1	101.17 (7)	Sr1—O2w—Sr1^viii	130.23 (8)
O6^iv—Sr1—O1	149.72 (7)	Sr1—O2w—H2w1	104.7
O5ⁱⁱⁱ—Sr1—O1	135.70 (8)	Sr1^viii—O2w—H2w1	104.7
O3ⁱⁱ—Sr1—O1	71.79 (7)	Sr1—O2w—H2w2	104.7
O2ⁱ—Sr1—O1w	145.90 (10)	Sr1^viii—O2w—H2w2	104.7
O6^iv—Sr1—O1w	82.82 (8)	H2w1—O2w—H2w2	105.7
O5ⁱⁱⁱ—Sr1—O1w	99.51 (9)	C2—C1—C6	119.8 (3)
O3ⁱⁱ—Sr1—O1w	135.57 (9)	C2—C1—H1	120.1
O1—Sr1—O1w	81.56 (8)	C6—C1—H1	120.1
O2ⁱ—Sr1—O2w	74.84 (7)	C1—C2—C3	121.5 (3)
O6^iv—Sr1—O2w	75.06 (7)	C1—C2—S1	120.3 (2)
O5ⁱⁱⁱ—Sr1—O2w	147.45 (7)	C3—C2—S1	118.1 (2)
O3ⁱⁱ—Sr1—O2w	130.00 (7)	C4—C3—C2	120.1 (3)
O1—Sr1—O2w	75.62 (7)	C4—C3—H3	120.0
O1w—Sr1—O2w	72.99 (10)	C2—C3—H3	120.0
O2ⁱ—Sr1—O2w^v	138.66 (7)	C3—C4—C5	120.3 (3)
O6^iv—Sr1—O2w^v	134.37 (7)	C3—C4—H4	119.8
O5ⁱⁱⁱ—Sr1—O2w^v	73.79 (7)	C5—C4—H4	119.8
O3ⁱⁱ—Sr1—O2w^v	63.25 (7)	C4—C5—C6	119.4 (3)
O1—Sr1—O2w^v	64.07 (7)	C4—C5—C10	121.3 (3)
O1w—Sr1—O2w^v	73.33 (9)	C6—C5—C10	119.2 (3)
O2w—Sr1—O2w^v	130.23 (8)	C1—C6—C7	122.6 (3)
O2—S1—O3	113.41 (13)	C1—C6—C5	118.8 (3)
O2—S1—O1	112.68 (14)	C7—C6—C5	118.6 (3)
O3—S1—O1	110.90 (13)	C8—C7—C6	120.6 (3)
O2—S1—C2	107.06 (13)	C8—C7—H7	119.7
O3—S1—C2	106.29 (14)	C6—C7—H7	119.7
O1—S1—C2	105.92 (13)	C7—C8—C9	121.2 (3)
O6—S2—O5	113.63 (13)	C7—C8—S2	120.7 (2)
O6—S2—O4	112.04 (16)	C9—C8—S2	118.0 (2)
O5—S2—O4	111.67 (15)	C10—C9—C8	119.4 (3)
O6—S2—C8	107.02 (14)	C10—C9—H9	120.3
O5—S2—C8	104.65 (14)	C8—C9—H9	120.3
O4—S2—C8	107.23 (14)	C9—C10—C5	120.8 (3)
S1—O1—Sr1	123.13 (12)	C9—C10—H10	119.6
S1—O2—Sr1ⁱⁱ	149.15 (13)	C5—C10—H10	119.6

O2—S1—O1—Sr1	−99.69 (16)	O2—S1—C2—C1	1.7 (3)
O3—S1—O1—Sr1	28.67 (19)	O3—S1—C2—C1	−119.8 (3)
C2—S1—O1—Sr1	143.58 (13)	O1—S1—C2—C1	122.2 (3)
O2ⁱ—Sr1—O1—S1	−14.73 (16)	Sr1—S1—C2—C1	151.7 (2)
O6^iv—Sr1—O1—S1	−100.53 (18)	O2—S1—C2—C3	179.3 (2)
O5ⁱⁱⁱ—Sr1—O1—S1	104.78 (16)	O3—S1—C2—C3	57.8 (2)
O3ⁱⁱ—Sr1—O1—S1	55.81 (15)	O1—S1—C2—C3	−60.2 (3)
O1w—Sr1—O1—S1	−160.21 (17)	Sr1—S1—C2—C3	−30.7 (3)
O2w—Sr1—O1—S1	−85.71 (15)	C1—C2—C3—C4	−1.4 (4)
O2w^v—Sr1—O1—S1	124.29 (16)	S1—C2—C3—C4	−179.0 (2)
O3—S1—O2—Sr1ⁱⁱ	−22.5 (3)	C2—C3—C4—C5	0.6 (4)
O1—S1—O2—Sr1ⁱⁱ	104.6 (3)	C3—C4—C5—C6	0.9 (4)
C2—S1—O2—Sr1ⁱⁱ	−139.4 (2)	C3—C4—C5—C10	−178.0 (3)
Sr1—S1—O2—Sr1ⁱⁱ	64.1 (3)	C2—C1—C6—C7	−179.7 (3)
O2—S1—O3—Sr1ⁱ	−62.7 (2)	C2—C1—C6—C5	0.7 (4)
O1—S1—O3—Sr1ⁱ	169.39 (18)	C4—C5—C6—C1	−1.5 (4)
C2—S1—O3—Sr1ⁱ	54.7 (2)	C10—C5—C6—C1	177.4 (3)
Sr1—S1—O3—Sr1ⁱ	−173.4 (2)	C4—C5—C6—C7	178.9 (3)
O6—S2—O5—Sr1^vi	72.0 (3)	C10—C5—C6—C7	−2.2 (4)
O4—S2—O5—Sr1^vi	−160.0 (2)	C1—C6—C7—C8	−178.4 (3)
C8—S2—O5—Sr1^vi	−44.4 (3)	C5—C6—C7—C8	1.1 (5)
O5—S2—O6—Sr1^vii	0.2 (3)	C6—C7—C8—C9	1.4 (5)
O4—S2—O6—Sr1^vii	−127.6 (2)	C6—C7—C8—S2	−174.7 (2)
C8—S2—O6—Sr1^vii	115.2 (3)	O6—S2—C8—C7	−13.3 (3)
O2ⁱ—Sr1—O2w—Sr1^viii	37.85 (9)	O5—S2—C8—C7	107.5 (3)
O6^iv—Sr1—O2w—Sr1^viii	−43.75 (10)	O4—S2—C8—C7	−133.7 (3)
O5ⁱⁱⁱ—Sr1—O2w—Sr1^viii	−49.76 (17)	O6—S2—C8—C9	170.5 (2)
O3ⁱⁱ—Sr1—O2w—Sr1^viii	93.43 (12)	O5—S2—C8—C9	−68.6 (3)
O1—Sr1—O2w—Sr1^viii	143.91 (11)	O4—S2—C8—C9	50.1 (3)
O1w—Sr1—O2w—Sr1^viii	−130.67 (11)	C7—C8—C9—C10	−2.7 (5)
O2w^v—Sr1—O2w—Sr1^viii	180.0	S2—C8—C9—C10	173.4 (2)
S1—Sr1—O2w—Sr1^viii	123.51 (9)	C8—C9—C10—C5	1.6 (5)
C6—C1—C2—C3	0.7 (4)	C4—C5—C10—C9	179.7 (3)
C6—C1—C2—S1	178.3 (2)	C6—C5—C10—C9	0.8 (4)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w1···O4^ix	0.84	2.29	3.066 (4)	154
O1w—H1w2···O4^x	0.84	2.27	2.904 (4)	132
O2w—H2w2···O4^x	0.84	2.03	2.856 (3)	167

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

Experimental details

Crystal data
Chemical formula	[Sr(C₁₀H₆O₆S₂)(H₂O)₂]
M_r	409.92
Crystal system, space group	Orthorhombic, Pna2₁
Temperature (K)	293
a, b, c (Å)	13.064 (6), 19.324 (9), 5.1989 (17)
V (Å³)	1312.5 (9)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	4.46
Crystal size (mm)	0.18 × 0.12 × 0.12

Data collection
Diffractometer	Rigaku R-AXIS RAPID IP
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.501, 0.616
No. of measured, independent and observed [I > 2σ(I)] reflections	11845, 2962, 2646
R_int	0.040
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.028, 0.071, 1.04
No. of reflections	2962
No. of parameters	190
No. of restraints	1
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.60, −0.51
Absolute structure	Flack (1983), 1584 Friedel pairs
Absolute structure parameter	−0.011 (6)

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalClear (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

Selected bond lengths (Å) top

Sr1—O1	2.612 (2)	Sr1—O6^iv	2.540 (2)
Sr1—O2ⁱ	2.494 (2)	Sr1—O1w	2.614 (2)
Sr1—O3ⁱⁱ	2.595 (2)	Sr1—O2w	2.756 (3)
Sr1—O5ⁱⁱⁱ	2.549 (2)	Sr1—O2w^v	2.974 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w1···O4^vi	0.84	2.29	3.066 (4)	154
O1w—H1w2···O4^vii	0.84	2.27	2.904 (4)	132
O2w—H2w2···O4^vii	0.84	2.03	2.856 (3)	167

Symmetry codes: (vi) −x+1, −y+1, z+1/2; (vii) −x+1, −y+1, z−1/2.

Acknowledgements

This work was supported by the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903), the Key Project of the Education Bureau of Heilongjiang Province (No. 12511z023) and the University of Malaya.

References

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