Poly[tetra­kis­(μ-benzene-1,2-dicarboxyl­ato)di-μ-formato-penta­strontium(II)]

Cheng, P.-C.; Zhan, J.-X.; Wu, C.-Y.; Lin, C.-H.

doi:10.1107/S1600536811044977

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 12| December 2011| Page m1647

https://doi.org/10.1107/S1600536811044977

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Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)]

Pei-Chi Cheng,^a Jun-Xiang Zhan,^b Cheng-You Wu ^b and Chia-Her Lin ^b ^*

^aDepartment of Chemistry, R&D Center for Membrane Technology, Center for Nanotechnology, Chung-Yuan Christian University, Chung-Li 320, Taiwan, and ^bDepartment of Chemistry, Chung-Yuan Christian University, Chung-Li 320, Taiwan
^*Correspondence e-mail: chiaher@cycu.edu.tw

(Received 21 October 2011; accepted 27 October 2011; online 2 November 2011)

The asymmetric unit of the title complex, [Sr₅(C₈H₄O₄)₄(HCO₂)₂]_n, contains three independent Sr^II ions, one of which is located on an inversion center. In the crystal, the Sr^II ions (coordination numbers 8, 9 and 12) are connected by two crystallographically distinct benzene-1,2-dicarboxylate ligands and one formate ligand, forming a two-dimensional polymer parallel to (001).

Related literature

For general background to metal coordination polymers, see: Kitagawa et al. (2004 ). For related structures, see: Stein & Ruschewitz (2005 ); Zhang et al. (2009 ); Wang et al. (2010 ).

Experimental

Crystal data

[Sr₅(C₈H₄O₄)₄(HCO₂)₂]
M_r = 1184.58
Triclinic, $[P \overline 1]$
a = 7.0292 (3) Å
b = 10.2892 (4) Å
c = 12.5439 (5) Å
α = 91.361 (2)°
β = 90.407 (2)°
γ = 104.998 (2)°
V = 876.00 (6) Å³
Z = 1
Mo Kα radiation
μ = 7.65 mm⁻¹
T = 295 K
0.20 × 0.18 × 0.15 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2010 ) T_min = 0.310, T_max = 0.393
15465 measured reflections
4295 independent reflections
3585 reflections with I > 2σ(I)
R_int = 0.033

Refinement

R[F² > 2σ(F²)] = 0.028
wR(F²) = 0.060
S = 1.04
4295 reflections
268 parameters
H-atom parameters constrained
Δρ_max = 0.97 e Å⁻³
Δρ_min = −0.39 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).

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536811044977/lh5360sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536811044977/lh5360Isup2.hkl

checkCIF report

Comment top

The increasingly rapid development of metal coordination polymers over the past two decades has attracted considerable attention due to their structural diversity and important applications (Kitagawa et al., 2004). benzene-1,2-dicarboxylate acid (H₂BDC) has been successively applied to construct to strontium (Stein & Ruschewitz, 2005), lead (Zhang et al., 2009), and tin complexes (Wang et al., 2010). Here we report the crystal structure of the title complex.

The title compound contains three crystallographically independent Sr^II ions, with coordination numbers 12 (Sr1, located on an inversion center), 8 (Sr2) and 9 (Sr3). The Sr—O distances range from 2.467 (2) to 2.9332 (19) Å. The coordination geometry of the Sr(II) ions is shown in Fig. 1. In the crystal, the Sr^II ions are connected by two crystallographically distinct benzene-1,2-dicarboxylate ligands and one formate ligand, to form a two-dimensional polymer parallel to (001) [Fig. 2].

Related literature top

For general background to metal coordination polymers, see: Kitagawa et al.(2004). For related structures, see: Stein & Ruschewitz (2005); Zhang et al. (2009); Wang et al. (2010).

Experimental top

Solvothermal reactions were carried out at 423 K for 2 d in a Teflon-lined acid digestion bomb with an internal volume of 23 ml followed by slow cooling at 6 K/h to room temperature. A single-phase product consisting of transparent colorless crystals of was obtained from a mixture of Sr(NO₃)₂ (0.0847 g,0.4 mmol), H₂ortho-BDC (0.0332 g, 0.2 mmol), DMF (5.0 ml) and H₂O (1.0 ml).

Structure description top

For general background to metal coordination polymers, see: Kitagawa et al.(2004). For related structures, see: Stein & Ruschewitz (2005); Zhang et al. (2009); Wang et al. (2010).

Computing details top

Data collection: APEX2 (Bruker, 2010); cell refinement: SAINT (Bruker, 2010); data reduction: SAINT (Bruker, 2010); 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).

Figures top

	Fig. 1. Part of the title structure, showing 50% probability displacement ellipsoids. [symmetry codes: (i) 1 - x, -y, -z; (ii) 1 + x, y, z; (iii) 2 - x, -y, -z; (iv) 1 - x, -1 - y, -z; (v) 2 - x, -1 - y, -z; (vi) x, 1 + y, z].
	Fig. 2. The layer structure of the title compound viewed along the c axis.

Poly[tetrakis(µ-benzene-1,2-dicarboxylato)di-µ-formato-pentastrontium(II)] top

Crystal data top

[Sr₅(C₈H₄O₄)₄(HCO₂)₂]	Z = 1
M_r = 1184.58	F(000) = 572
Triclinic, P1	D_x = 2.245 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0292 (3) Å	Cell parameters from 8942 reflections
b = 10.2892 (4) Å	θ = 2.6–28.3°
c = 12.5439 (5) Å	µ = 7.65 mm⁻¹
α = 91.361 (2)°	T = 295 K
β = 90.407 (2)°	Lamellar, colorless
γ = 104.998 (2)°	0.20 × 0.18 × 0.15 mm
V = 876.00 (6) Å³

Data collection top

Bruker APEXII CCD diffractometer	4295 independent reflections
Radiation source: fine-focus sealed tube	3585 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.033
Detector resolution: 8.3333 pixels mm^-1	θ_max = 28.3°, θ_min = 1.6°
φ and ω scans	h = −9→9
Absorption correction: multi-scan (SADABS; Bruker, 2010)	k = −13→13
T_min = 0.310, T_max = 0.393	l = −16→16
15465 measured reflections

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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.060	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0254P)² + 0.4547P] where P = (F_o² + 2F_c²)/3
4295 reflections	(Δ/σ)_max = 0.001
268 parameters	Δρ_max = 0.97 e Å⁻³
0 restraints	Δρ_min = −0.39 e Å⁻³

Crystal data top

[Sr₅(C₈H₄O₄)₄(HCO₂)₂]	γ = 104.998 (2)°
M_r = 1184.58	V = 876.00 (6) Å³
Triclinic, P1	Z = 1
a = 7.0292 (3) Å	Mo Kα radiation
b = 10.2892 (4) Å	µ = 7.65 mm⁻¹
c = 12.5439 (5) Å	T = 295 K
α = 91.361 (2)°	0.20 × 0.18 × 0.15 mm
β = 90.407 (2)°

Data collection top

Bruker APEXII CCD diffractometer	4295 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2010)	3585 reflections with I > 2σ(I)
T_min = 0.310, T_max = 0.393	R_int = 0.033
15465 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.028	0 restraints
wR(F²) = 0.060	H-atom parameters constrained
S = 1.04	Δρ_max = 0.97 e Å⁻³
4295 reflections	Δρ_min = −0.39 e Å⁻³
268 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
Sr1	1.0000	0.0000	0.0000	0.01600 (9)
Sr2	0.86724 (3)	−0.37889 (2)	−0.11377 (2)	0.01683 (7)
Sr3	0.57129 (3)	0.21010 (2)	−0.05482 (2)	0.01681 (7)
O1	0.6246 (3)	−0.05156 (18)	−0.08904 (15)	0.0184 (4)
O2	0.8372 (3)	−0.14323 (19)	−0.17205 (16)	0.0219 (4)
O3	0.2714 (3)	0.03708 (19)	−0.14874 (16)	0.0227 (4)
O4	0.1994 (3)	−0.17952 (19)	−0.11074 (16)	0.0209 (4)
O5	0.7838 (3)	−0.26762 (19)	0.05581 (15)	0.0215 (4)
O6	1.0850 (3)	−0.18764 (19)	0.12185 (17)	0.0254 (5)
O7	0.5072 (3)	−0.61995 (19)	0.10329 (16)	0.0233 (4)
O8	0.8151 (3)	−0.54513 (18)	0.05059 (15)	0.0190 (4)
O9	0.6767 (3)	−0.6166 (2)	−0.19012 (17)	0.0274 (5)
O10	0.8059 (4)	−0.4615 (3)	−0.30783 (19)	0.0432 (6)
C1	0.6836 (4)	−0.1025 (3)	−0.1717 (2)	0.0168 (6)
C2	0.5647 (4)	−0.1157 (3)	−0.2734 (2)	0.0178 (6)
C3	0.6460 (4)	−0.1431 (3)	−0.3689 (2)	0.0268 (7)
H3A	0.7758	−0.1489	−0.3701	0.032*
C4	0.5356 (5)	−0.1618 (3)	−0.4624 (3)	0.0316 (7)
H4A	0.5917	−0.1788	−0.5265	0.038*
C5	0.3424 (5)	−0.1553 (3)	−0.4603 (3)	0.0327 (8)
H5A	0.2678	−0.1684	−0.5231	0.039*
C6	0.2587 (4)	−0.1293 (3)	−0.3652 (3)	0.0292 (7)
H6A	0.1279	−0.1256	−0.3643	0.035*
C7	0.3690 (4)	−0.1087 (3)	−0.2717 (2)	0.0184 (6)
C8	0.2747 (4)	−0.0818 (3)	−0.1693 (2)	0.0172 (6)
C9	0.9131 (4)	−0.2604 (3)	0.1291 (2)	0.0166 (6)
C10	0.8555 (4)	−0.3394 (3)	0.2271 (2)	0.0183 (6)
C11	0.9164 (4)	−0.2784 (3)	0.3253 (3)	0.0280 (7)
H11A	0.9963	−0.1909	0.3287	0.034*
C12	0.8602 (5)	−0.3458 (3)	0.4187 (3)	0.0336 (8)
H12A	0.9028	−0.3042	0.4843	0.040*
C13	0.7407 (5)	−0.4750 (3)	0.4136 (3)	0.0343 (8)
H13A	0.7023	−0.5208	0.4760	0.041*
C14	0.6777 (4)	−0.5367 (3)	0.3161 (3)	0.0275 (7)
H14A	0.5956	−0.6236	0.3136	0.033*
C15	0.7349 (4)	−0.4711 (3)	0.2222 (2)	0.0180 (6)
C16	0.6787 (4)	−0.5489 (3)	0.1181 (2)	0.0159 (6)
C17	0.7073 (5)	−0.5772 (4)	−0.2845 (3)	0.0377 (8)
H17A	0.6537	−0.6374	−0.3400	0.045*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.01285 (16)	0.01455 (18)	0.0203 (2)	0.00311 (13)	−0.00091 (13)	0.00027 (15)
Sr2	0.01502 (12)	0.01474 (13)	0.02072 (15)	0.00390 (10)	0.00023 (10)	0.00003 (10)
Sr3	0.01324 (12)	0.01526 (13)	0.02143 (15)	0.00273 (9)	0.00058 (10)	0.00130 (10)
O1	0.0151 (9)	0.0180 (10)	0.0201 (11)	0.0006 (8)	−0.0004 (8)	−0.0016 (8)
O2	0.0151 (9)	0.0235 (11)	0.0280 (12)	0.0065 (8)	−0.0020 (8)	0.0008 (9)
O3	0.0229 (10)	0.0179 (10)	0.0287 (12)	0.0080 (8)	−0.0001 (9)	−0.0042 (9)
O4	0.0140 (9)	0.0210 (10)	0.0263 (12)	0.0015 (8)	0.0003 (8)	0.0058 (9)
O5	0.0269 (10)	0.0175 (10)	0.0216 (11)	0.0086 (8)	−0.0045 (8)	−0.0001 (8)
O6	0.0189 (10)	0.0213 (11)	0.0352 (13)	0.0027 (8)	0.0041 (9)	0.0083 (9)
O7	0.0153 (9)	0.0236 (11)	0.0287 (12)	0.0013 (8)	−0.0013 (8)	−0.0036 (9)
O8	0.0186 (9)	0.0184 (10)	0.0213 (11)	0.0065 (8)	0.0053 (8)	0.0022 (8)
O9	0.0330 (12)	0.0234 (11)	0.0267 (13)	0.0084 (9)	−0.0005 (9)	0.0044 (10)
O10	0.0558 (16)	0.0426 (15)	0.0303 (14)	0.0106 (13)	0.0049 (12)	0.0044 (12)
C1	0.0116 (12)	0.0135 (13)	0.0230 (16)	−0.0008 (10)	0.0000 (11)	0.0018 (12)
C2	0.0172 (13)	0.0157 (13)	0.0198 (15)	0.0031 (11)	−0.0012 (11)	−0.0003 (11)
C3	0.0213 (14)	0.0315 (17)	0.0276 (18)	0.0070 (13)	0.0027 (13)	−0.0010 (14)
C4	0.0345 (18)	0.041 (2)	0.0199 (17)	0.0101 (15)	0.0023 (13)	−0.0011 (15)
C5	0.0356 (18)	0.043 (2)	0.0197 (17)	0.0106 (15)	−0.0081 (14)	−0.0037 (15)
C6	0.0212 (14)	0.0410 (19)	0.0272 (18)	0.0119 (13)	−0.0062 (12)	−0.0037 (15)
C7	0.0169 (13)	0.0144 (13)	0.0238 (16)	0.0038 (11)	0.0010 (11)	0.0003 (12)
C8	0.0085 (11)	0.0192 (14)	0.0243 (16)	0.0046 (10)	−0.0050 (10)	−0.0009 (12)
C9	0.0193 (13)	0.0128 (13)	0.0194 (15)	0.0072 (11)	0.0027 (11)	−0.0014 (11)
C10	0.0169 (13)	0.0180 (14)	0.0193 (15)	0.0035 (11)	−0.0010 (11)	−0.0004 (12)
C11	0.0282 (16)	0.0227 (16)	0.0287 (18)	−0.0007 (13)	−0.0039 (13)	−0.0041 (14)
C12	0.0386 (19)	0.038 (2)	0.0212 (18)	0.0048 (15)	−0.0021 (14)	−0.0069 (15)
C13	0.0440 (19)	0.0368 (19)	0.0199 (18)	0.0057 (16)	0.0035 (15)	0.0068 (15)
C14	0.0295 (16)	0.0211 (15)	0.0293 (18)	0.0019 (13)	0.0020 (13)	0.0021 (14)
C15	0.0144 (12)	0.0196 (14)	0.0199 (15)	0.0043 (11)	0.0018 (11)	−0.0003 (12)
C16	0.0172 (13)	0.0129 (13)	0.0194 (15)	0.0071 (10)	−0.0019 (11)	0.0023 (11)
C17	0.0385 (19)	0.037 (2)	0.039 (2)	0.0135 (16)	0.0002 (16)	−0.0016 (17)

Geometric parameters (Å, º) top

Sr1—O3ⁱ	2.641 (2)	O6—C9	1.251 (3)
Sr1—O3ⁱⁱ	2.641 (2)	O6—Sr3ⁱⁱⁱ	2.6281 (19)
Sr1—O2ⁱⁱⁱ	2.661 (2)	O7—C16	1.248 (3)
Sr1—O2	2.661 (2)	O7—Sr2^iv	2.6335 (18)
Sr1—O6ⁱⁱⁱ	2.6729 (19)	O7—Sr3^viii	2.729 (2)
Sr1—O6	2.6729 (19)	O8—C16	1.277 (3)
Sr1—O1	2.7742 (17)	O8—Sr2^v	2.6710 (18)
Sr1—O1ⁱⁱⁱ	2.7742 (17)	O8—Sr3^viii	2.9331 (19)
Sr1—O5ⁱⁱⁱ	2.8848 (19)	O9—C17	1.262 (4)
Sr1—O5	2.8848 (19)	O9—Sr3^viii	2.467 (2)
Sr1—O4ⁱ	2.9242 (19)	O10—C17	1.256 (4)
Sr1—O4ⁱⁱ	2.9242 (19)	C1—C2	1.504 (4)
Sr2—O5	2.536 (2)	C2—C3	1.384 (4)
Sr2—O10	2.556 (2)	C2—C7	1.396 (4)
Sr2—O2	2.6087 (19)	C3—C4	1.384 (4)
Sr2—O9	2.620 (2)	C3—H3A	0.9300
Sr2—O7^iv	2.6335 (18)	C4—C5	1.378 (4)
Sr2—O8^v	2.6710 (18)	C4—H4A	0.9300
Sr2—O8	2.6766 (18)	C5—C6	1.384 (5)
Sr2—O4ⁱⁱ	2.6789 (18)	C5—H5A	0.9300
Sr3—O9^vi	2.467 (2)	C6—C7	1.383 (4)
Sr3—O1ⁱ	2.6128 (19)	C6—H6A	0.9300
Sr3—O6ⁱⁱⁱ	2.6281 (19)	C7—C8	1.502 (4)
Sr3—O3	2.6314 (19)	C8—Sr1^vii	3.125 (3)
Sr3—O4ⁱ	2.6938 (19)	C8—Sr3ⁱ	3.420 (3)
Sr3—O5ⁱ	2.7104 (18)	C9—C10	1.490 (4)
Sr3—O7^vi	2.729 (2)	C10—C11	1.383 (4)
Sr3—O1	2.8361 (19)	C10—C15	1.400 (4)
Sr3—O8^vi	2.9332 (19)	C11—C12	1.382 (4)
O1—C1	1.271 (3)	C11—H11A	0.9300
O1—Sr3ⁱ	2.6129 (19)	C12—C13	1.376 (5)
O2—C1	1.255 (3)	C12—H12A	0.9300
O3—C8	1.250 (3)	C13—C14	1.380 (4)
O3—Sr1^vii	2.641 (2)	C13—H13A	0.9300
O4—C8	1.264 (3)	C14—C15	1.382 (4)
O4—Sr2^vii	2.6789 (18)	C14—H14A	0.9300
O4—Sr3ⁱ	2.6938 (19)	C15—C16	1.510 (4)
O4—Sr1^vii	2.9242 (19)	C16—Sr3^viii	3.190 (3)
O5—C9	1.275 (3)	C17—H17A	0.9300
O5—Sr3ⁱ	2.7104 (18)

O3ⁱ—Sr1—O3ⁱⁱ	180.00 (9)	O3—Sr3—O1	65.33 (5)
O3ⁱ—Sr1—O2ⁱⁱⁱ	72.69 (6)	O4ⁱ—Sr3—O1	76.04 (6)
O3ⁱⁱ—Sr1—O2ⁱⁱⁱ	107.31 (6)	O5ⁱ—Sr3—O1	124.22 (5)
O3ⁱ—Sr1—O2	107.31 (6)	O7^vi—Sr3—O1	141.68 (6)
O3ⁱⁱ—Sr1—O2	72.69 (6)	O9^vi—Sr3—O8^vi	71.45 (6)
O2ⁱⁱⁱ—Sr1—O2	180.0	O1ⁱ—Sr3—O8^vi	109.25 (5)
O3ⁱ—Sr1—O6ⁱⁱⁱ	103.66 (6)	O6ⁱⁱⁱ—Sr3—O8^vi	82.40 (6)
O3ⁱⁱ—Sr1—O6ⁱⁱⁱ	76.34 (6)	O3—Sr3—O8^vi	161.74 (5)
O2ⁱⁱⁱ—Sr1—O6ⁱⁱⁱ	102.22 (6)	O4ⁱ—Sr3—O8^vi	62.49 (5)
O2—Sr1—O6ⁱⁱⁱ	77.78 (6)	O5ⁱ—Sr3—O8^vi	100.39 (5)
O3ⁱ—Sr1—O6	76.34 (6)	O7^vi—Sr3—O8^vi	45.82 (5)
O3ⁱⁱ—Sr1—O6	103.66 (6)	O1—Sr3—O8^vi	132.73 (5)
O2ⁱⁱⁱ—Sr1—O6	77.78 (6)	O9^vi—Sr3—C16^vi	86.49 (7)
O2—Sr1—O6	102.22 (6)	O1ⁱ—Sr3—C16^vi	89.85 (6)
O6ⁱⁱⁱ—Sr1—O6	180.0	O6ⁱⁱⁱ—Sr3—C16^vi	104.15 (6)
O3ⁱ—Sr1—O1	68.69 (6)	O3—Sr3—C16^vi	142.52 (6)
O3ⁱⁱ—Sr1—O1	111.31 (6)	O4ⁱ—Sr3—C16^vi	63.56 (6)
O2ⁱⁱⁱ—Sr1—O1	131.93 (5)	O5ⁱ—Sr3—C16^vi	83.02 (6)
O2—Sr1—O1	48.07 (5)	O7^vi—Sr3—C16^vi	22.65 (6)
O6ⁱⁱⁱ—Sr1—O1	61.89 (6)	O1—Sr3—C16^vi	139.48 (6)
O6—Sr1—O1	118.11 (6)	O8^vi—Sr3—C16^vi	23.60 (6)
O3ⁱ—Sr1—O1ⁱⁱⁱ	111.31 (6)	O9^vi—Sr3—C8ⁱ	143.07 (7)
O3ⁱⁱ—Sr1—O1ⁱⁱⁱ	68.69 (6)	O1ⁱ—Sr3—C8ⁱ	48.65 (6)
O2ⁱⁱⁱ—Sr1—O1ⁱⁱⁱ	48.07 (5)	O6ⁱⁱⁱ—Sr3—C8ⁱ	81.07 (6)
O2—Sr1—O1ⁱⁱⁱ	131.93 (5)	O3—Sr3—C8ⁱ	111.74 (6)
O6ⁱⁱⁱ—Sr1—O1ⁱⁱⁱ	118.11 (6)	O4ⁱ—Sr3—C8ⁱ	19.62 (6)
O6—Sr1—O1ⁱⁱⁱ	61.89 (6)	O5ⁱ—Sr3—C8ⁱ	119.24 (6)
O1—Sr1—O1ⁱⁱⁱ	180.0	O7^vi—Sr3—C8ⁱ	77.15 (6)
O3ⁱ—Sr1—O5ⁱⁱⁱ	120.83 (6)	O1—Sr3—C8ⁱ	66.95 (6)
O3ⁱⁱ—Sr1—O5ⁱⁱⁱ	59.17 (6)	O8^vi—Sr3—C8ⁱ	78.75 (6)
O2ⁱⁱⁱ—Sr1—O5ⁱⁱⁱ	68.95 (6)	C16^vi—Sr3—C8ⁱ	73.62 (6)
O2—Sr1—O5ⁱⁱⁱ	111.05 (6)	O9^vi—Sr3—Sr1^vii	125.58 (5)
O6ⁱⁱⁱ—Sr1—O5ⁱⁱⁱ	46.67 (5)	O1ⁱ—Sr3—Sr1^vii	41.76 (4)
O6—Sr1—O5ⁱⁱⁱ	133.33 (5)	O6ⁱⁱⁱ—Sr3—Sr1^vii	144.06 (4)
O1—Sr1—O5ⁱⁱⁱ	108.47 (5)	O3—Sr3—Sr1^vii	38.86 (4)
O1ⁱⁱⁱ—Sr1—O5ⁱⁱⁱ	71.53 (5)	O4ⁱ—Sr3—Sr1^vii	109.12 (4)
O3ⁱ—Sr1—O5	59.17 (6)	O5ⁱ—Sr3—Sr1^vii	44.41 (4)
O3ⁱⁱ—Sr1—O5	120.83 (6)	O7^vi—Sr3—Sr1^vii	84.43 (4)
O2ⁱⁱⁱ—Sr1—O5	111.05 (6)	O1—Sr3—Sr1^vii	82.91 (4)
O2—Sr1—O5	68.95 (6)	O8^vi—Sr3—Sr1^vii	130.22 (4)
O6ⁱⁱⁱ—Sr1—O5	133.33 (5)	C16^vi—Sr3—Sr1^vii	106.72 (5)
O6—Sr1—O5	46.67 (5)	C8ⁱ—Sr3—Sr1^vii	90.35 (4)
O1—Sr1—O5	71.53 (5)	C1—O1—Sr3ⁱ	119.45 (16)
O1ⁱⁱⁱ—Sr1—O5	108.47 (5)	C1—O1—Sr1	89.98 (14)
O5ⁱⁱⁱ—Sr1—O5	180.0	Sr3ⁱ—O1—Sr1	99.39 (6)
O3ⁱ—Sr1—O4ⁱ	46.64 (5)	C1—O1—Sr3	129.32 (16)
O3ⁱⁱ—Sr1—O4ⁱ	133.36 (5)	Sr3ⁱ—O1—Sr3	108.81 (6)
O2ⁱⁱⁱ—Sr1—O4ⁱ	59.32 (5)	Sr1—O1—Sr3	96.94 (5)
O2—Sr1—O4ⁱ	120.68 (5)	C1—O2—Sr2	126.39 (17)
O6ⁱⁱⁱ—Sr1—O4ⁱ	65.35 (6)	C1—O2—Sr1	95.62 (17)
O6—Sr1—O4ⁱ	114.65 (6)	Sr2—O2—Sr1	98.51 (6)
O1—Sr1—O4ⁱ	73.41 (5)	C8—O3—Sr3	121.66 (16)
O1ⁱⁱⁱ—Sr1—O4ⁱ	106.59 (5)	C8—O3—Sr1^vii	100.71 (17)
O5ⁱⁱⁱ—Sr1—O4ⁱ	75.06 (5)	Sr3—O3—Sr1^vii	102.43 (7)
O5—Sr1—O4ⁱ	104.94 (5)	C8—O4—Sr2^vii	135.86 (16)
O3ⁱ—Sr1—O4ⁱⁱ	133.36 (5)	C8—O4—Sr3ⁱ	114.66 (15)
O3ⁱⁱ—Sr1—O4ⁱⁱ	46.64 (5)	Sr2^vii—O4—Sr3ⁱ	109.39 (6)
O2ⁱⁱⁱ—Sr1—O4ⁱⁱ	120.68 (5)	C8—O4—Sr1^vii	87.01 (16)
O2—Sr1—O4ⁱⁱ	59.32 (5)	Sr2^vii—O4—Sr1^vii	90.77 (5)
O6ⁱⁱⁱ—Sr1—O4ⁱⁱ	114.65 (6)	Sr3ⁱ—O4—Sr1^vii	96.68 (6)
O6—Sr1—O4ⁱⁱ	65.35 (6)	C9—O5—Sr2	112.02 (16)
O1—Sr1—O4ⁱⁱ	106.59 (5)	C9—O5—Sr3ⁱ	132.22 (17)
O1ⁱⁱⁱ—Sr1—O4ⁱⁱ	73.41 (5)	Sr2—O5—Sr3ⁱ	115.44 (7)
O5ⁱⁱⁱ—Sr1—O4ⁱⁱ	104.94 (5)	C9—O5—Sr1	86.87 (15)
O5—Sr1—O4ⁱⁱ	75.06 (5)	Sr2—O5—Sr1	94.66 (6)
O4ⁱ—Sr1—O4ⁱⁱ	180.00 (5)	Sr3ⁱ—O5—Sr1	94.48 (5)
O5—Sr2—O10	153.40 (7)	C9—O6—Sr3ⁱⁱⁱ	138.19 (17)
O5—Sr2—O2	75.35 (6)	C9—O6—Sr1	97.19 (16)
O10—Sr2—O2	88.68 (7)	Sr3ⁱⁱⁱ—O6—Sr1	104.80 (7)
O5—Sr2—O9	125.53 (6)	C16—O7—Sr2^iv	143.91 (17)
O10—Sr2—O9	50.80 (7)	C16—O7—Sr3^viii	99.92 (17)
O2—Sr2—O9	128.29 (6)	Sr2^iv—O7—Sr3^viii	111.61 (7)
O5—Sr2—O7^iv	66.86 (6)	C16—O8—Sr2^v	118.00 (16)
O10—Sr2—O7^iv	88.28 (7)	C16—O8—Sr2	121.54 (15)
O2—Sr2—O7^iv	72.55 (6)	Sr2^v—O8—Sr2	115.75 (6)
O9—Sr2—O7^iv	75.32 (6)	C16—O8—Sr3^viii	89.57 (15)
O5—Sr2—O8^v	101.16 (6)	Sr2^v—O8—Sr3^viii	102.86 (6)
O10—Sr2—O8^v	105.39 (7)	Sr2—O8—Sr3^viii	99.56 (6)
O2—Sr2—O8^v	129.55 (6)	C17—O9—Sr3^viii	153.6 (2)
O9—Sr2—O8^v	95.28 (6)	C17—O9—Sr2	91.1 (2)
O7^iv—Sr2—O8^v	153.14 (6)	Sr3^viii—O9—Sr2	114.79 (8)
O5—Sr2—O8	68.06 (6)	C17—O10—Sr2	94.3 (2)
O10—Sr2—O8	123.11 (7)	O2—C1—O1	122.6 (3)
O2—Sr2—O8	143.15 (6)	O2—C1—C2	118.3 (3)
O9—Sr2—O8	73.66 (6)	O1—C1—C2	119.0 (2)
O7^iv—Sr2—O8	88.90 (6)	O2—C1—Sr1	60.21 (14)
O8^v—Sr2—O8	64.25 (6)	O1—C1—Sr1	65.40 (14)
O5—Sr2—O4ⁱⁱ	85.44 (6)	C2—C1—Sr1	162.29 (18)
O10—Sr2—O4ⁱⁱ	106.46 (7)	C3—C2—C7	119.5 (3)
O2—Sr2—O4ⁱⁱ	63.25 (6)	C3—C2—C1	119.7 (2)
O9—Sr2—O4ⁱⁱ	147.58 (6)	C7—C2—C1	120.6 (3)
O7^iv—Sr2—O4ⁱⁱ	132.53 (6)	C2—C3—C4	120.5 (3)
O8^v—Sr2—O4ⁱⁱ	66.31 (6)	C2—C3—H3A	119.7
O8—Sr2—O4ⁱⁱ	116.43 (6)	C4—C3—H3A	119.7
O5—Sr2—C17	144.39 (8)	C5—C4—C3	119.8 (3)
O10—Sr2—C17	25.29 (8)	C5—C4—H4A	120.1
O2—Sr2—C17	108.87 (8)	C3—C4—H4A	120.1
O9—Sr2—C17	25.52 (8)	C4—C5—C6	120.3 (3)
O7^iv—Sr2—C17	80.49 (8)	C4—C5—H5A	119.9
O8^v—Sr2—C17	101.96 (8)	C6—C5—H5A	119.9
O8—Sr2—C17	98.66 (8)	C7—C6—C5	120.2 (3)
O4ⁱⁱ—Sr2—C17	128.81 (8)	C7—C6—H6A	119.9
O5—Sr2—C9	21.42 (6)	C5—C6—H6A	119.9
O10—Sr2—C9	174.73 (7)	C6—C7—C2	119.7 (3)
O2—Sr2—C9	87.44 (6)	C6—C7—C8	119.3 (2)
O9—Sr2—C9	130.15 (7)	C2—C7—C8	121.0 (3)
O7^iv—Sr2—C9	87.16 (6)	O3—C8—O4	123.9 (3)
O8^v—Sr2—C9	79.84 (6)	O3—C8—C7	117.3 (2)
O8—Sr2—C9	59.46 (6)	O4—C8—C7	118.8 (2)
O4ⁱⁱ—Sr2—C9	74.88 (6)	O3—C8—Sr1^vii	56.14 (14)
C17—Sr2—C9	155.22 (9)	O4—C8—Sr1^vii	69.17 (15)
O5—Sr2—Sr1	46.07 (4)	C7—C8—Sr1^vii	164.05 (18)
O10—Sr2—Sr1	127.95 (6)	O3—C8—Sr3ⁱ	108.26 (18)
O2—Sr2—Sr1	41.23 (4)	O4—C8—Sr3ⁱ	45.72 (12)
O9—Sr2—Sr1	163.24 (5)	C7—C8—Sr3ⁱ	115.95 (16)
O7^iv—Sr2—Sr1	88.05 (4)	Sr1^vii—C8—Sr3ⁱ	79.71 (6)
O8^v—Sr2—Sr1	100.66 (4)	O6—C9—O5	122.1 (3)
O8—Sr2—Sr1	108.71 (4)	O6—C9—C10	119.3 (2)
O4ⁱⁱ—Sr2—Sr1	47.09 (4)	O5—C9—C10	118.6 (2)
C17—Sr2—Sr1	150.09 (7)	O6—C9—Sr1	59.12 (13)
C9—Sr2—Sr1	49.25 (5)	O5—C9—Sr1	68.79 (14)
O5—Sr2—Sr3^viii	99.78 (4)	C10—C9—Sr1	153.70 (18)
O10—Sr2—Sr3^viii	82.14 (6)	O6—C9—Sr2	97.14 (17)
O2—Sr2—Sr3^viii	147.27 (4)	O5—C9—Sr2	46.56 (13)
O9—Sr2—Sr3^viii	31.50 (5)	C10—C9—Sr2	126.17 (17)
O7^iv—Sr2—Sr3^viii	75.82 (4)	Sr1—C9—Sr2	78.21 (6)
O8^v—Sr2—Sr3^viii	83.16 (4)	C11—C10—C15	119.4 (3)
O8—Sr2—Sr3^viii	42.44 (4)	C11—C10—C9	118.8 (3)
O4ⁱⁱ—Sr2—Sr3^viii	149.44 (4)	C15—C10—C9	121.7 (2)
C17—Sr2—Sr3^viii	56.95 (7)	C12—C11—C10	121.0 (3)
C9—Sr2—Sr3^viii	99.28 (5)	C12—C11—H11A	119.5
Sr1—Sr2—Sr3^viii	145.840 (8)	C10—C11—H11A	119.5
O9^vi—Sr3—O1ⁱ	164.51 (6)	C13—C12—C11	119.4 (3)
O9^vi—Sr3—O6ⁱⁱⁱ	73.93 (6)	C13—C12—H12A	120.3
O1ⁱ—Sr3—O6ⁱⁱⁱ	121.54 (6)	C11—C12—H12A	120.3
O9^vi—Sr3—O3	103.04 (7)	C12—C13—C14	120.3 (3)
O1ⁱ—Sr3—O3	71.31 (6)	C12—C13—H13A	119.9
O6ⁱⁱⁱ—Sr3—O3	113.33 (6)	C14—C13—H13A	119.9
O9^vi—Sr3—O4ⁱ	123.48 (6)	C13—C14—C15	120.9 (3)
O1ⁱ—Sr3—O4ⁱ	67.42 (6)	C13—C14—H14A	119.6
O6ⁱⁱⁱ—Sr3—O4ⁱ	69.37 (6)	C15—C14—H14A	119.6
O3—Sr3—O4ⁱ	130.36 (6)	C14—C15—C10	119.0 (3)
O9^vi—Sr3—O5ⁱ	87.78 (6)	C14—C15—C16	118.4 (2)
O1ⁱ—Sr3—O5ⁱ	76.83 (6)	C10—C15—C16	122.4 (2)
O6ⁱⁱⁱ—Sr3—O5ⁱ	159.68 (6)	O7—C16—O8	122.4 (3)
O3—Sr3—O5ⁱ	61.60 (6)	O7—C16—C15	120.0 (2)
O4ⁱ—Sr3—O5ⁱ	129.85 (6)	O8—C16—C15	117.5 (2)
O9^vi—Sr3—O7^vi	96.29 (6)	O7—C16—Sr3^viii	57.43 (14)
O1ⁱ—Sr3—O7^vi	75.32 (6)	O8—C16—Sr3^viii	66.83 (14)
O6ⁱⁱⁱ—Sr3—O7^vi	126.54 (6)	C15—C16—Sr3^viii	161.68 (17)
O3—Sr3—O7^vi	120.04 (6)	O10—C17—O9	123.8 (3)
O4ⁱ—Sr3—O7^vi	74.30 (6)	O10—C17—Sr2	60.42 (19)
O5ⁱ—Sr3—O7^vi	63.16 (6)	O9—C17—Sr2	63.39 (18)
O9^vi—Sr3—O1	120.34 (6)	O10—C17—H17A	118.1
O1ⁱ—Sr3—O1	71.19 (6)	O9—C17—H17A	118.1
O6ⁱⁱⁱ—Sr3—O1	61.57 (5)	Sr2—C17—H17A	177.4

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

Experimental details

Crystal data
Chemical formula	[Sr₅(C₈H₄O₄)₄(HCO₂)₂]
M_r	1184.58
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	7.0292 (3), 10.2892 (4), 12.5439 (5)
α, β, γ (°)	91.361 (2), 90.407 (2), 104.998 (2)
V (Å³)	876.00 (6)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	7.65
Crystal size (mm)	0.20 × 0.18 × 0.15

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Bruker, 2010)
T_min, T_max	0.310, 0.393
No. of measured, independent and observed [I > 2σ(I)] reflections	15465, 4295, 3585
R_int	0.033
(sin θ/λ)_max (Å⁻¹)	0.668

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.028, 0.060, 1.04
No. of reflections	4295
No. of parameters	268
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.97, −0.39

Computer programs: APEX2 (Bruker, 2010), SAINT (Bruker, 2010), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2010), SHELXTL (Sheldrick, 2008).

Acknowledgements

This research was supported by National Science Council, Taiwan (NSC99–2113-M-033–005-MY2) and by the Center-of-Excellence (COE) Program on Membrane Technology of the Ministry of Education (MOE).

References

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