catena-Poly[diaqua-tris(μ(3)-biphenyl-2,2-dicarboxyl-ato)disamarium(III)].

The title compound, [Sm(2)(C(14)H(8)O(4))(3)(H(2)O)(2)](n), is composed of one-dimensional chains and is isostructural with previously reported compounds [Wang et al. (2003 ▶). Eur. J. Inorg. Chem. pp. 1355-1360]. The asymmetric unit contains two Sm atoms, each of which lies on a crystallographic twofold axis. Both crystallographically independent Sm atoms are coordinated by eight O atoms in a distorted dodeca-hedral arrangement. The polymeric chains run along [001]. Adjacent chains are connected through π-π inter-actions [centroid-centroid distance = 3.450 (2) Å], forming a two-dimensional supra-molecular network.

Related literature

For background to the design and syntheses of lanthanide complexes and their potential applications as fluorescent probes, magnetic materials and catalysts, see: Barta et al. (2008 ▶); de Bettencourt-Dias et al. (2005 ▶), (2005); Chen et al. (2008 ▶); Fujita et al. (1994 ▶); Taniguchi & Takahei (1993 ▶). For the effect of the organic ligands on the structural framework of lanthanide complexes, see: Liu & Xu (2005 ▶); Wang et al. (2007 ▶); Yigit et al. (2006 ▶). For the use of multidentate O-donor ligands as organic spacers in the construction of these complexes, see: Lin et al. (2005 ▶); Zheng et al. (2008 ▶). For the coordination behaviour of 2,2′-biphenyl­dicarboxyl­ate, see: Thirumurugan et al. (2003 ▶); Xu et al. (2006 ▶); Rui et al. (2007 ▶).

Experimental

Crystal data

[Sm2(C14H8O4)3(H2O)2]

M = 1057.34

Monoclinic,

a = 20.776 (4) Å

b = 21.441 (4) Å

c = 8.2660 (17) Å

β = 103.94 (3)°

V = 3573.7 (13) Å3

Z = 4

Mo Kα radiation

μ = 3.33 mm−1

T = 293 K

0.39 × 0.34 × 0.27 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.261, T max = 0.409

15001 measured reflections

3962 independent reflections

3238 reflections with I > 2σ(I)

R int = 0.067

Refinement

R[F 2 > 2σ(F 2)] = 0.066

wR(F 2) = 0.130

S = 1.18

3962 reflections

263 parameters

H-atom parameters constrained

Δρmax = 2.31 e Å−3

Δρmin = −1.91 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPII (Johnson, 1976 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809046625/jh2091sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809046625/jh2091Isup2.hkl

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

[Sm2(C14H8O4)3(H2O)2]	F(000) = 2064
Mr = 1057.34	Dx = 1.965 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 12337 reflections
a = 20.776 (4) Å	θ = 3.0–27.7°
b = 21.441 (4) Å	µ = 3.33 mm−1
c = 8.2660 (17) Å	T = 293 K
β = 103.94 (3)°	Block, colorless
V = 3573.7 (13) Å3	0.39 × 0.34 × 0.27 mm
Z = 4

Rigaku R-AXIS RAPID diffractometer	3962 independent reflections
Radiation source: fine-focus sealed tube	3238 reflections with I > 2σ(I)
graphite	Rint = 0.067
Detector resolution: 0 pixels mm-1	θmax = 27.5°, θmin = 3.0°
ω scans	h = −26→26
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −27→27
Tmin = 0.261, Tmax = 0.409	l = −10→10
15001 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)] = 0.066	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.130	H-atom parameters constrained
S = 1.18	w = 1/[σ2(Fo2) + 89.0505P] where P = (Fo2 + 2Fc2)/3
3962 reflections	(Δ/σ)max = 0.005
263 parameters	Δρmax = 2.31 e Å−3
0 restraints	Δρmin = −1.91 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
Sm1	0.0000	0.20641 (2)	0.7500	0.01913 (15)
Sm2	0.0000	0.28693 (2)	0.2500	0.01920 (15)
O1	0.0507 (3)	0.1479 (3)	0.5795 (7)	0.0347 (14)
O2	0.0696 (3)	0.2088 (2)	0.3778 (7)	0.0270 (12)
O3	0.0595 (3)	0.2463 (3)	0.0471 (7)	0.0272 (12)
O4	0.0957 (3)	0.1637 (3)	−0.0570 (7)	0.0371 (15)
O5	0.0340 (3)	0.3549 (3)	0.4988 (7)	0.0314 (14)
O6	0.0664 (3)	0.2896 (2)	0.7115 (7)	0.0253 (12)
C1	0.0717 (4)	0.1566 (4)	0.4500 (9)	0.0219 (15)
C2	0.0997 (4)	0.1010 (4)	0.3809 (10)	0.0261 (17)
C3	0.0705 (5)	0.0434 (4)	0.3985 (11)	0.038 (2)
H3A	0.0340	0.0418	0.4451	0.045*
C4	0.0948 (6)	−0.0106 (4)	0.3481 (12)	0.047 (3)
H4A	0.0750	−0.0487	0.3608	0.056*
C5	0.1484 (6)	−0.0084 (5)	0.2790 (11)	0.051 (3)
H5A	0.1650	−0.0448	0.2430	0.062*
C6	0.1774 (5)	0.0479 (5)	0.2632 (12)	0.043 (2)
H6A	0.2147	0.0484	0.2194	0.051*
C7	0.1542 (4)	0.1042 (4)	0.3090 (10)	0.0303 (19)
C8	0.1910 (4)	0.1616 (4)	0.2945 (10)	0.0290 (18)
C9	0.2548 (5)	0.1680 (5)	0.3969 (12)	0.043 (2)
H9A	0.2710	0.1377	0.4768	0.051*
C10	0.2938 (5)	0.2178 (5)	0.3824 (14)	0.049 (3)
H10A	0.3359	0.2209	0.4529	0.059*
C11	0.2722 (5)	0.2637 (6)	0.2657 (14)	0.047 (3)
H11A	0.2996	0.2971	0.2555	0.057*
C12	0.2084 (5)	0.2593 (5)	0.1633 (10)	0.037 (2)
H12A	0.1926	0.2902	0.0849	0.045*
C13	0.1687 (4)	0.2091 (4)	0.1778 (11)	0.0307 (19)
C14	0.1034 (4)	0.2052 (4)	0.0510 (10)	0.0277 (17)
C15	0.0564 (4)	0.3429 (3)	0.6499 (10)	0.0226 (16)
C16	0.0779 (4)	0.3973 (3)	0.7700 (9)	0.0246 (17)
C17	0.1438 (4)	0.3978 (4)	0.8573 (10)	0.0294 (18)
H17A	0.1715	0.3649	0.8458	0.035*
C18	0.1689 (5)	0.4476 (5)	0.9620 (12)	0.040 (2)
H18A	0.2131	0.4478	1.0206	0.048*
C19	0.1282 (5)	0.4962 (4)	0.9784 (11)	0.041 (2)
H19A	0.1452	0.5300	1.0458	0.049*
C20	0.0622 (5)	0.4954 (4)	0.8956 (11)	0.034 (2)
H20A	0.0348	0.5282	0.9097	0.041*
C21	0.0358 (5)	0.4454 (3)	0.7900 (10)	0.0278 (18)
O7	0.0919 (4)	0.3610 (3)	0.2356 (8)	0.0474 (18)
H7B	0.1218	0.3708	0.3270	0.050*
H7A	0.1034	0.3561	0.1493	0.075*

	U11	U22	U33	U12	U13	U23
Sm1	0.0230 (3)	0.0164 (3)	0.0182 (3)	0.000	0.0054 (2)	0.000
Sm2	0.0226 (3)	0.0174 (3)	0.0179 (3)	0.000	0.0056 (2)	0.000
O1	0.054 (4)	0.025 (3)	0.033 (3)	0.009 (3)	0.025 (3)	0.005 (2)
O2	0.025 (3)	0.023 (3)	0.033 (3)	0.005 (2)	0.009 (2)	0.002 (2)
O3	0.029 (3)	0.031 (3)	0.023 (3)	0.005 (2)	0.009 (2)	−0.001 (2)
O4	0.041 (4)	0.032 (3)	0.032 (3)	0.013 (3)	−0.004 (3)	−0.007 (2)
O5	0.047 (4)	0.027 (3)	0.022 (3)	−0.007 (3)	0.012 (3)	−0.003 (2)
O6	0.022 (3)	0.019 (3)	0.037 (3)	−0.004 (2)	0.011 (2)	0.001 (2)
C1	0.017 (4)	0.025 (4)	0.024 (4)	0.004 (3)	0.007 (3)	−0.002 (3)
C2	0.031 (4)	0.023 (4)	0.023 (4)	0.012 (3)	0.004 (3)	0.000 (3)
C3	0.051 (6)	0.028 (4)	0.034 (5)	0.002 (4)	0.010 (4)	0.000 (3)
C4	0.077 (8)	0.024 (5)	0.036 (6)	0.004 (5)	0.007 (5)	0.000 (4)
C5	0.090 (9)	0.038 (5)	0.018 (5)	0.029 (6)	−0.001 (5)	−0.008 (4)
C6	0.042 (6)	0.047 (6)	0.037 (5)	0.025 (5)	0.004 (4)	−0.009 (4)
C7	0.033 (5)	0.035 (5)	0.018 (4)	0.014 (4)	−0.002 (3)	−0.004 (3)
C8	0.021 (4)	0.039 (5)	0.029 (4)	0.010 (3)	0.009 (3)	−0.010 (3)
C9	0.031 (5)	0.057 (6)	0.038 (5)	0.022 (5)	0.005 (4)	−0.015 (4)
C10	0.022 (5)	0.069 (7)	0.054 (7)	0.004 (5)	0.006 (4)	−0.028 (5)
C11	0.032 (5)	0.058 (7)	0.053 (7)	−0.015 (5)	0.015 (5)	−0.023 (5)
C12	0.043 (6)	0.061 (6)	0.010 (4)	−0.005 (5)	0.012 (4)	−0.007 (3)
C13	0.019 (4)	0.037 (5)	0.036 (5)	0.005 (3)	0.006 (3)	−0.008 (3)
C14	0.030 (4)	0.027 (4)	0.026 (4)	−0.004 (3)	0.006 (3)	0.003 (3)
C15	0.018 (4)	0.021 (4)	0.032 (4)	0.000 (3)	0.013 (3)	−0.005 (3)
C16	0.034 (5)	0.019 (4)	0.022 (4)	−0.006 (3)	0.010 (3)	−0.002 (3)
C17	0.034 (5)	0.033 (4)	0.026 (4)	−0.001 (4)	0.017 (4)	−0.004 (3)
C18	0.035 (5)	0.048 (6)	0.037 (5)	−0.009 (4)	0.011 (4)	−0.016 (4)
C19	0.055 (6)	0.040 (5)	0.031 (5)	−0.017 (5)	0.016 (4)	−0.017 (4)
C20	0.049 (6)	0.019 (4)	0.043 (5)	−0.006 (4)	0.026 (4)	−0.009 (3)
C21	0.047 (5)	0.015 (3)	0.027 (4)	−0.007 (3)	0.019 (4)	−0.001 (3)
O7	0.053 (4)	0.052 (4)	0.043 (4)	−0.026 (4)	0.023 (3)	−0.018 (3)

Sm1—O1i	2.321 (6)	C4—H4A	0.9300
Sm1—O1	2.321 (6)	C5—C6	1.370 (15)
Sm1—O6	2.322 (5)	C5—H5A	0.9300
Sm1—O6i	2.322 (5)	C6—C7	1.386 (11)
Sm1—O4ii	2.410 (6)	C6—H6A	0.9300
Sm1—O4iii	2.410 (6)	C7—C8	1.469 (13)
Sm1—O3iii	2.613 (5)	C8—C9	1.397 (12)
Sm1—O3ii	2.613 (5)	C8—C13	1.403 (12)
Sm1—C14iii	2.869 (8)	C9—C10	1.362 (15)
Sm1—C14ii	2.869 (8)	C9—H9A	0.9300
Sm2—O2ii	2.298 (5)	C10—C11	1.375 (16)
Sm2—O2	2.298 (5)	C10—H10A	0.9300
Sm2—O3ii	2.469 (6)	C11—C12	1.394 (13)
Sm2—O3	2.469 (6)	C11—H11A	0.9300
Sm2—O5	2.480 (5)	C12—C13	1.377 (13)
Sm2—O5ii	2.480 (5)	C12—H12A	0.9300
Sm2—O7	2.509 (6)	C13—C14	1.503 (11)
Sm2—O7ii	2.509 (6)	C14—Sm1iv	2.869 (8)
O1—C1	1.264 (9)	C15—C16	1.527 (10)
O2—C1	1.263 (9)	C16—C17	1.387 (12)
O3—C14	1.264 (10)	C16—C21	1.388 (11)
O3—Sm1iv	2.613 (5)	C17—C18	1.394 (12)
O4—C14	1.244 (10)	C17—H17A	0.9300
O4—Sm1iv	2.410 (6)	C18—C19	1.369 (14)
O5—C15	1.250 (10)	C18—H18A	0.9300
O6—C15	1.248 (9)	C19—C20	1.376 (14)
C1—C2	1.498 (10)	C19—H19A	0.9300
C2—C3	1.399 (12)	C20—C21	1.407 (11)
C2—C7	1.402 (12)	C20—H20A	0.9300
C3—C4	1.369 (13)	C21—C21i	1.477 (18)
C3—H3A	0.9300	O7—H7B	0.8798
C4—C5	1.370 (16)	O7—H7A	0.8122
O1i—Sm1—O1	114.5 (3)	C14—O3—Sm2	134.8 (5)
O1i—Sm1—O6	150.4 (2)	C14—O3—Sm1iv	88.3 (5)
O1—Sm1—O6	87.7 (2)	Sm2—O3—Sm1iv	123.6 (2)
O1i—Sm1—O6i	87.7 (2)	C14—O4—Sm1iv	98.4 (5)
O1—Sm1—O6i	150.4 (2)	C15—O5—Sm2	132.1 (5)
O6—Sm1—O6i	79.7 (3)	C15—O6—Sm1	135.5 (5)
O1i—Sm1—O4ii	76.9 (2)	O2—C1—O1	123.5 (7)
O1—Sm1—O4ii	79.4 (2)	O2—C1—C2	119.8 (7)
O6—Sm1—O4ii	128.6 (2)	O1—C1—C2	116.7 (7)
O6i—Sm1—O4ii	87.7 (2)	C3—C2—C7	120.1 (8)
O1i—Sm1—O4iii	79.4 (2)	C3—C2—C1	116.4 (8)
O1—Sm1—O4iii	76.9 (2)	C7—C2—C1	123.4 (7)
O6—Sm1—O4iii	87.7 (2)	C4—C3—C2	121.0 (10)
O6i—Sm1—O4iii	128.6 (2)	C4—C3—H3A	119.5
O4ii—Sm1—O4iii	135.3 (3)	C2—C3—H3A	119.5
O1i—Sm1—O3iii	77.7 (2)	C3—C4—C5	119.7 (10)
O1—Sm1—O3iii	124.5 (2)	C3—C4—H4A	120.2
O6—Sm1—O3iii	73.45 (19)	C5—C4—H4A	120.2
O6i—Sm1—O3iii	77.39 (19)	C6—C5—C4	119.4 (9)
O4ii—Sm1—O3iii	151.0 (2)	C6—C5—H5A	120.3
O4iii—Sm1—O3iii	51.29 (18)	C4—C5—H5A	120.3
O1i—Sm1—O3ii	124.5 (2)	C5—C6—C7	123.5 (11)
O1—Sm1—O3ii	77.7 (2)	C5—C6—H6A	118.2
O6—Sm1—O3ii	77.39 (19)	C7—C6—H6A	118.2
O6i—Sm1—O3ii	73.45 (19)	C6—C7—C2	116.3 (9)
O4ii—Sm1—O3ii	51.29 (18)	C6—C7—C8	119.1 (9)
O4iii—Sm1—O3ii	151.0 (2)	C2—C7—C8	124.4 (7)
O3iii—Sm1—O3ii	141.8 (2)	C9—C8—C13	117.0 (9)
O1i—Sm1—C14iii	79.8 (2)	C9—C8—C7	118.0 (8)
O1—Sm1—C14iii	99.6 (2)	C13—C8—C7	124.9 (7)
O6—Sm1—C14iii	77.3 (2)	C10—C9—C8	121.4 (10)
O6i—Sm1—C14iii	103.5 (2)	C10—C9—H9A	119.3
O4ii—Sm1—C14iii	153.7 (2)	C8—C9—H9A	119.3
O4iii—Sm1—C14iii	25.4 (2)	C9—C10—C11	121.5 (9)
O3iii—Sm1—C14iii	26.1 (2)	C9—C10—H10A	119.3
O3ii—Sm1—C14iii	154.7 (2)	C11—C10—H10A	119.3
O1i—Sm1—C14ii	99.6 (2)	C10—C11—C12	118.6 (10)
O1—Sm1—C14ii	79.8 (2)	C10—C11—H11A	120.7
O6—Sm1—C14ii	103.5 (2)	C12—C11—H11A	120.7
O6i—Sm1—C14ii	77.3 (2)	C13—C12—C11	120.2 (10)
O4ii—Sm1—C14ii	25.4 (2)	C13—C12—H12A	119.9
O4iii—Sm1—C14ii	153.7 (2)	C11—C12—H12A	119.9
O3iii—Sm1—C14ii	154.7 (2)	C12—C13—C8	121.4 (8)
O3ii—Sm1—C14ii	26.1 (2)	C12—C13—C14	116.2 (8)
C14iii—Sm1—C14ii	179.0 (3)	C8—C13—C14	122.1 (8)
O2ii—Sm2—O2	86.4 (3)	O4—C14—O3	120.9 (8)
O2ii—Sm2—O3ii	72.10 (19)	O4—C14—C13	118.7 (8)
O2—Sm2—O3ii	78.1 (2)	O3—C14—C13	120.2 (7)
O2ii—Sm2—O3	78.1 (2)	O4—C14—Sm1iv	56.2 (4)
O2—Sm2—O3	72.10 (19)	O3—C14—Sm1iv	65.5 (4)
O3ii—Sm2—O3	138.7 (3)	C13—C14—Sm1iv	164.9 (6)
O2ii—Sm2—O5	146.3 (2)	O6—C15—O5	125.6 (7)
O2—Sm2—O5	91.4 (2)	O6—C15—C16	116.1 (7)
O3ii—Sm2—O5	74.51 (19)	O5—C15—C16	118.2 (7)
O3—Sm2—O5	132.9 (2)	C17—C16—C21	120.2 (7)
O2ii—Sm2—O5ii	91.4 (2)	C17—C16—C15	116.3 (7)
O2—Sm2—O5ii	146.3 (2)	C21—C16—C15	123.5 (7)
O3ii—Sm2—O5ii	132.9 (2)	C16—C17—C18	120.3 (8)
O3—Sm2—O5ii	74.51 (19)	C16—C17—H17A	119.9
O5—Sm2—O5ii	108.0 (3)	C18—C17—H17A	119.9
O2ii—Sm2—O7	147.4 (2)	C19—C18—C17	119.8 (9)
O2—Sm2—O7	94.7 (2)	C19—C18—H18A	120.1
O3ii—Sm2—O7	140.0 (2)	C17—C18—H18A	120.1
O3—Sm2—O7	71.3 (2)	C18—C19—C20	120.4 (8)
O5—Sm2—O7	66.4 (2)	C18—C19—H19A	119.8
O5ii—Sm2—O7	69.9 (2)	C20—C19—H19A	119.8
O2ii—Sm2—O7ii	94.7 (2)	C19—C20—C21	120.7 (9)
O2—Sm2—O7ii	147.4 (2)	C19—C20—H20A	119.6
O3ii—Sm2—O7ii	71.3 (2)	C21—C20—H20A	119.6
O3—Sm2—O7ii	140.0 (2)	C16—C21—C20	118.6 (8)
O5—Sm2—O7ii	69.9 (2)	C16—C21—C21i	122.8 (6)
O5ii—Sm2—O7ii	66.4 (2)	C20—C21—C21i	118.5 (7)
O7—Sm2—O7ii	101.4 (4)	Sm2—O7—H7B	119.9
C1—O1—Sm1	137.2 (5)	Sm2—O7—H7A	110.3
C1—O2—Sm2	144.0 (5)	H7B—O7—H7A	119.3