Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807025561/cv2243sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807025561/cv2243Isup2.hkl |
CCDC reference: 261033
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.005 Å
- R factor = 0.028
- wR factor = 0.068
- Data-to-parameter ratio = 18.6
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.58 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sm1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Sm1 (3) 3.34 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 9
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
Sm(ClO4)3.6H2O (0.3128 g, 0.562 mmol), NaSCN (0.0926 g, 1.14 mmol), 4-methylpyridine N-oxide (0.0637 g, 0.584 mmol) and Na(CH3COO) (0.0480 g, 0.585 mmol) were dissolved in 5 ml of water, respectively, and then the four kinds of solutions were mixed together and stirred for a few minutes. The colourless transparent single crystals were obtained after allowing the solution to stand for two weeks at room temperature.
The H atoms from H2O were found in a difference Fourier map, and placed in idealized positions with O—H = 0.884–0.899 Å. The C-bound H atoms were placed in calculated positions, C—H = 0.93–0.96 Å. All H atoms were refined as riding, with Uiso(H) = 1.2–1.5Ueq(C,O).
Acetate, thiocyanate and pyridine N-oxide (or its derivatives) are very useful bridging ligands and many multi-nuclear complexes have been synthesized using these ligands (Panagiotopoulos et al., 1995; Zhang et al., 2006). Some of these complexes display interesting physical properties. We are interested in compounds containing the three types of ligands and hence we have synthesize the title complex, (I), whose crystal structure is reported here.
The asymmetric unit and symmetry-related fragments of (I) are shown in Fig. 1. In the binuclear structure each SmIII ion is coordinated by nine atoms and Table 1 shows the relative coordinated bond lengths and associated angles, and the distance between Sm1 to Sm1i is 4.5032 (5) Å. Atoms Sm1, O2, Sm1i, O2i [symmetry code: (i) -x + 2, -y,-z + 1] are strictly coplanar and form a parallelogram by virtue of the crystallographic inversion center which is at the middle of the parallelogram. The hydrogen bonds (Table 2) from O atom and S1 atom made the binuclear units connect each other and form the supermolecular two-dimensional sheets on ac plane, and the hydrogen bonds dealing with S2 atom made the sheets pile up along b axis and led to the formation of the supermolecular three-dimensional structure.
For the crystal structures of related complexes, see: Panagiotopoulos et al. (1995); Zhang et al. (2006).
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Fig. 1. Molecular structure of (I) showing the atom numbering scheme with displacement ellipsoids drawn at the 30% probability level [symmetry code: (i) -x + 2, -y, -z + 1]. |
[Sm2(C2H3O2)2(NCS)4(C6H7NO)2(H2O)6] | F(000) = 956 |
Mr = 977.46 | Dx = 1.877 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 5767 reflections |
a = 9.0451 (12) Å | θ = 2.6–27.1° |
b = 15.997 (2) Å | µ = 3.66 mm−1 |
c = 12.1753 (16) Å | T = 298 K |
β = 100.910 (2)° | Prism, colourless |
V = 1729.9 (4) Å3 | 0.26 × 0.11 × 0.09 mm |
Z = 2 |
Bruker SMART APEX CCD area-detector diffractometer | 3736 independent reflections |
Radiation source: fine-focus sealed tube | 3447 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
φ and ω scans | θmax = 27.1°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.449, Tmax = 0.734 | k = −20→19 |
10164 measured reflections | l = −14→15 |
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) = 0.068 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.035P)2 + 0.8001P] where P = (Fo2 + 2Fc2)/3 |
3736 reflections | (Δ/σ)max = 0.002 |
201 parameters | Δρmax = 0.57 e Å−3 |
9 restraints | Δρmin = −1.28 e Å−3 |
[Sm2(C2H3O2)2(NCS)4(C6H7NO)2(H2O)6] | V = 1729.9 (4) Å3 |
Mr = 977.46 | Z = 2 |
Monoclinic, P21/n | Mo Kα radiation |
a = 9.0451 (12) Å | µ = 3.66 mm−1 |
b = 15.997 (2) Å | T = 298 K |
c = 12.1753 (16) Å | 0.26 × 0.11 × 0.09 mm |
β = 100.910 (2)° |
Bruker SMART APEX CCD area-detector diffractometer | 3736 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3447 reflections with I > 2σ(I) |
Tmin = 0.449, Tmax = 0.734 | Rint = 0.027 |
10164 measured reflections |
R[F2 > 2σ(F2)] = 0.028 | 9 restraints |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 1.06 | Δρmax = 0.57 e Å−3 |
3736 reflections | Δρmin = −1.28 e Å−3 |
201 parameters |
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 | ||
O2 | 0.9416 (3) | −0.07880 (15) | 0.5244 (2) | 0.0362 (6) | |
Sm1 | 0.806933 (17) | 0.086888 (10) | 0.509341 (13) | 0.02443 (7) | |
O4 | 0.7952 (2) | 0.02100 (14) | 0.32466 (18) | 0.0323 (5) | |
H10 | 0.7299 | −0.0177 | 0.2925 | 0.049* | |
H11 | 0.8848 | −0.0011 | 0.3212 | 0.049* | |
N1 | 0.9373 (3) | 0.07642 (17) | 0.7955 (2) | 0.0306 (6) | |
O5 | 0.7100 (2) | −0.05216 (15) | 0.5392 (2) | 0.0331 (5) | |
O1 | 0.9396 (3) | 0.04823 (17) | 0.69183 (19) | 0.0391 (6) | |
N3 | 0.6276 (3) | 0.1216 (2) | 0.6366 (3) | 0.0446 (8) | |
C8 | 0.8150 (4) | −0.1040 (2) | 0.5394 (3) | 0.0283 (7) | |
O3 | 0.7847 (3) | 0.19595 (16) | 0.3566 (2) | 0.0460 (7) | |
H7 | 0.7405 | 0.1789 | 0.2879 | 0.069* | |
H8 | 0.8383 | 0.2391 | 0.3414 | 0.069* | |
C7 | 0.5460 (4) | 0.1247 (2) | 0.6986 (3) | 0.0341 (7) | |
C1 | 1.0394 (4) | 0.1337 (2) | 0.8404 (3) | 0.0389 (8) | |
H1 | 1.1054 | 0.1563 | 0.7984 | 0.047* | |
C5 | 0.8410 (5) | 0.0694 (2) | 0.9602 (3) | 0.0432 (9) | |
H5 | 0.7705 | 0.0480 | 0.9993 | 0.052* | |
C10 | 0.9366 (4) | 0.2917 (2) | 0.6101 (3) | 0.0382 (8) | |
C3 | 0.9481 (5) | 0.1260 (2) | 1.0121 (3) | 0.0434 (9) | |
C6 | 0.8381 (4) | 0.0448 (2) | 0.8523 (3) | 0.0375 (8) | |
H6 | 0.7670 | 0.0061 | 0.8187 | 0.045* | |
C2 | 1.0452 (5) | 0.1585 (2) | 0.9491 (3) | 0.0435 (9) | |
H2 | 1.1162 | 0.1980 | 0.9806 | 0.052* | |
N2 | 0.8969 (4) | 0.2242 (2) | 0.5898 (3) | 0.0535 (9) | |
S1 | 0.43595 (12) | 0.12573 (7) | 0.79119 (9) | 0.0475 (3) | |
S2 | 0.99454 (17) | 0.38766 (8) | 0.63505 (10) | 0.0637 (3) | |
O6 | 0.5521 (3) | 0.09437 (17) | 0.4048 (2) | 0.0448 (7) | |
H12 | 0.5291 | 0.0953 | 0.3302 | 0.067* | |
H13 | 0.4642 | 0.0822 | 0.4246 | 0.067* | |
C9 | 0.7879 (5) | −0.1937 (2) | 0.5573 (5) | 0.0588 (12) | |
H9A | 0.6817 | −0.2046 | 0.5412 | 0.088* | |
H9B | 0.8279 | −0.2081 | 0.6337 | 0.088* | |
H9C | 0.8367 | −0.2266 | 0.5086 | 0.088* | |
C4 | 0.9579 (7) | 0.1507 (3) | 1.1326 (3) | 0.0727 (15) | |
H4A | 1.0616 | 0.1521 | 1.1695 | 0.109* | |
H4B | 0.9044 | 0.1106 | 1.1690 | 0.109* | |
H4C | 0.9139 | 0.2050 | 1.1363 | 0.109* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O2 | 0.0236 (13) | 0.0450 (15) | 0.0414 (14) | −0.0097 (10) | 0.0099 (10) | −0.0056 (11) |
Sm1 | 0.01875 (10) | 0.02561 (11) | 0.02988 (11) | −0.00155 (6) | 0.00701 (7) | −0.00335 (6) |
O4 | 0.0243 (12) | 0.0361 (13) | 0.0362 (12) | 0.0029 (10) | 0.0047 (9) | −0.0075 (10) |
N1 | 0.0266 (15) | 0.0358 (16) | 0.0292 (14) | 0.0054 (11) | 0.0046 (11) | −0.0044 (11) |
O5 | 0.0252 (12) | 0.0286 (13) | 0.0468 (14) | 0.0006 (10) | 0.0106 (10) | 0.0021 (11) |
O1 | 0.0342 (13) | 0.0556 (17) | 0.0266 (12) | 0.0100 (12) | 0.0035 (10) | −0.0128 (11) |
N3 | 0.0327 (17) | 0.058 (2) | 0.0454 (18) | 0.0062 (15) | 0.0121 (14) | −0.0104 (16) |
C8 | 0.0235 (17) | 0.0291 (17) | 0.0329 (16) | −0.0043 (12) | 0.0071 (13) | −0.0037 (13) |
O3 | 0.0601 (18) | 0.0334 (14) | 0.0464 (15) | −0.0098 (12) | 0.0150 (13) | 0.0047 (11) |
C7 | 0.0272 (18) | 0.0320 (18) | 0.0424 (19) | 0.0024 (14) | 0.0053 (15) | −0.0110 (15) |
C1 | 0.033 (2) | 0.047 (2) | 0.0371 (19) | −0.0063 (16) | 0.0087 (15) | −0.0063 (16) |
C5 | 0.045 (2) | 0.044 (2) | 0.045 (2) | 0.0064 (18) | 0.0211 (18) | 0.0085 (17) |
C10 | 0.038 (2) | 0.042 (2) | 0.0319 (18) | −0.0025 (16) | 0.0010 (15) | −0.0086 (15) |
C3 | 0.062 (3) | 0.035 (2) | 0.0339 (19) | 0.0112 (18) | 0.0124 (18) | −0.0001 (15) |
C6 | 0.0327 (19) | 0.036 (2) | 0.044 (2) | −0.0011 (15) | 0.0068 (15) | 0.0009 (16) |
C2 | 0.051 (2) | 0.040 (2) | 0.038 (2) | −0.0063 (18) | 0.0048 (17) | −0.0068 (16) |
N2 | 0.057 (2) | 0.041 (2) | 0.062 (2) | −0.0124 (17) | 0.0105 (18) | −0.0147 (17) |
S1 | 0.0469 (6) | 0.0438 (6) | 0.0595 (6) | −0.0067 (4) | 0.0302 (5) | −0.0165 (5) |
S2 | 0.0994 (10) | 0.0416 (6) | 0.0495 (6) | −0.0245 (6) | 0.0127 (6) | −0.0128 (5) |
O6 | 0.0218 (13) | 0.072 (2) | 0.0411 (15) | 0.0032 (12) | 0.0088 (11) | 0.0116 (12) |
C9 | 0.041 (2) | 0.032 (2) | 0.106 (4) | −0.0019 (17) | 0.020 (2) | 0.009 (2) |
C4 | 0.122 (5) | 0.061 (3) | 0.038 (2) | 0.014 (3) | 0.023 (3) | −0.005 (2) |
O2—C8 | 1.259 (4) | C7—S1 | 1.639 (4) |
Sm1—O2i | 2.390 (2) | C1—C2 | 1.374 (5) |
Sm1—O2 | 2.908 (3) | C1—H1 | 0.9300 |
Sm1—O2i | 2.390 (2) | C5—C6 | 1.367 (5) |
Sm1—O1 | 2.398 (2) | C5—C3 | 1.388 (6) |
Sm1—O6 | 2.416 (3) | C5—H5 | 0.9300 |
Sm1—O5 | 2.443 (2) | C10—N2 | 1.150 (5) |
Sm1—O4 | 2.467 (2) | C10—S2 | 1.632 (4) |
Sm1—N2 | 2.479 (3) | C3—C2 | 1.372 (5) |
Sm1—N3 | 2.508 (3) | C3—C4 | 1.506 (5) |
Sm1—O3 | 2.530 (3) | C6—H6 | 0.9300 |
O4—H10 | 0.8934 | C2—H2 | 0.9300 |
O4—H11 | 0.8932 | O6—H12 | 0.8937 |
N1—C6 | 1.332 (4) | O6—H13 | 0.8948 |
N1—C1 | 1.341 (5) | C9—H9A | 0.9600 |
N1—O1 | 1.344 (3) | C9—H9B | 0.9600 |
O5—C8 | 1.260 (4) | C9—H9C | 0.9600 |
N3—C7 | 1.153 (4) | C4—H4A | 0.9600 |
C8—C9 | 1.479 (5) | C4—H4B | 0.9600 |
O3—H7 | 0.8987 | C4—H4C | 0.9600 |
O3—H8 | 0.8839 | ||
C8—O2—Sm1i | 158.2 (2) | C1—N1—O1 | 118.7 (3) |
C8—O2—Sm1 | 85.3 (2) | C8—O5—Sm1 | 107.9 (2) |
Sm1i—O2—Sm1 | 116.07 (9) | N1—O1—Sm1 | 133.61 (19) |
O2i—Sm1—O1 | 79.62 (9) | C7—N3—Sm1 | 169.5 (3) |
O2i—Sm1—O6 | 139.14 (9) | O2—C8—O5 | 119.7 (3) |
O1—Sm1—O6 | 139.55 (9) | O2—C8—C9 | 120.8 (3) |
O2i—Sm1—O5 | 110.87 (8) | O5—C8—C9 | 119.5 (3) |
O1—Sm1—O5 | 76.00 (9) | Sm1—O3—H7 | 115.8 |
O6—Sm1—O5 | 77.88 (8) | Sm1—O3—H8 | 136.3 |
O2i—Sm1—O4 | 72.46 (8) | H7—O3—H8 | 101.9 |
O1—Sm1—O4 | 131.46 (8) | N3—C7—S1 | 177.0 (4) |
O6—Sm1—O4 | 70.66 (8) | N1—C1—C2 | 119.2 (3) |
O5—Sm1—O4 | 77.99 (8) | N1—C1—H1 | 120.4 |
O2i—Sm1—N2 | 82.18 (10) | C2—C1—H1 | 120.4 |
O1—Sm1—N2 | 78.06 (11) | C6—C5—C3 | 120.7 (4) |
O6—Sm1—N2 | 111.92 (11) | C6—C5—H5 | 119.7 |
O5—Sm1—N2 | 148.01 (11) | C3—C5—H5 | 119.7 |
O4—Sm1—N2 | 133.87 (10) | N2—C10—S2 | 178.2 (4) |
O2i—Sm1—N3 | 149.98 (10) | C2—C3—C5 | 117.2 (3) |
O1—Sm1—N3 | 75.73 (9) | C2—C3—C4 | 121.3 (4) |
O6—Sm1—N3 | 69.53 (10) | C5—C3—C4 | 121.4 (4) |
O5—Sm1—N3 | 79.49 (10) | N1—C6—C5 | 119.9 (4) |
O4—Sm1—N3 | 137.40 (9) | N1—C6—H6 | 120.1 |
N2—Sm1—N3 | 76.22 (12) | C5—C6—H6 | 120.1 |
O2i—Sm1—O3 | 81.78 (9) | C3—C2—C1 | 121.2 (4) |
O1—Sm1—O3 | 144.60 (9) | C3—C2—H2 | 119.4 |
O6—Sm1—O3 | 69.11 (9) | C1—C2—H2 | 119.4 |
O5—Sm1—O3 | 139.15 (9) | C10—N2—Sm1 | 169.4 (3) |
O4—Sm1—O3 | 68.97 (8) | Sm1—O6—H12 | 123.5 |
N2—Sm1—O3 | 69.75 (11) | Sm1—O6—H13 | 131.0 |
N3—Sm1—O3 | 109.28 (10) | H12—O6—H13 | 103.3 |
O2i—Sm1—O2 | 63.93 (9) | C8—C9—H9A | 109.5 |
O1—Sm1—O2 | 64.94 (8) | C8—C9—H9B | 109.5 |
O6—Sm1—O2 | 115.14 (8) | H9A—C9—H9B | 109.5 |
O5—Sm1—O2 | 47.06 (7) | C8—C9—H9C | 109.5 |
O4—Sm1—O2 | 67.26 (7) | H9A—C9—H9C | 109.5 |
N2—Sm1—O2 | 132.87 (10) | H9B—C9—H9C | 109.5 |
N3—Sm1—O2 | 118.38 (10) | C3—C4—H4A | 109.5 |
O3—Sm1—O2 | 130.46 (8) | C3—C4—H4B | 109.5 |
Sm1—O4—H10 | 127.3 | H4A—C4—H4B | 109.5 |
Sm1—O4—H11 | 109.2 | C3—C4—H4C | 109.5 |
H10—O4—H11 | 103.6 | H4A—C4—H4C | 109.5 |
C6—N1—C1 | 121.8 (3) | H4B—C4—H4C | 109.5 |
C6—N1—O1 | 119.5 (3) |
Symmetry code: (i) −x+2, −y, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O6—H12···S2ii | 0.89 | 2.35 | 3.240 (3) | 172 |
O3—H8···S1iii | 0.88 | 2.46 | 3.325 (3) | 168 |
O4—H10···S1iv | 0.89 | 2.39 | 3.279 (2) | 178 |
O6—H13···O5iv | 0.89 | 1.78 | 2.674 (3) | 177 |
O4—H11···O1i | 0.89 | 1.79 | 2.685 (3) | 177 |
O3—H7···S2ii | 0.90 | 2.83 | 3.643 (3) | 152 |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) x−1/2, −y+1/2, z−1/2; (iii) x+1/2, −y+1/2, z−1/2; (iv) −x+1, −y, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Sm2(C2H3O2)2(NCS)4(C6H7NO)2(H2O)6] |
Mr | 977.46 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 298 |
a, b, c (Å) | 9.0451 (12), 15.997 (2), 12.1753 (16) |
β (°) | 100.910 (2) |
V (Å3) | 1729.9 (4) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 3.66 |
Crystal size (mm) | 0.26 × 0.11 × 0.09 |
Data collection | |
Diffractometer | Bruker SMART APEX CCD area-detector |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.449, 0.734 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 10164, 3736, 3447 |
Rint | 0.027 |
(sin θ/λ)max (Å−1) | 0.640 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.028, 0.068, 1.06 |
No. of reflections | 3736 |
No. of parameters | 201 |
No. of restraints | 9 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.57, −1.28 |
Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SAINT, SHELXTL (Bruker, 2001), SHELXTL.
Sm1—O2i | 2.390 (2) | Sm1—O4 | 2.467 (2) |
Sm1—O2 | 2.908 (3) | Sm1—N2 | 2.479 (3) |
Sm1—O1 | 2.398 (2) | Sm1—N3 | 2.508 (3) |
Sm1—O6 | 2.416 (3) | Sm1—O3 | 2.530 (3) |
Sm1—O5 | 2.443 (2) |
Symmetry code: (i) −x+2, −y, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O6—H12···S2ii | 0.89 | 2.35 | 3.240 (3) | 172 |
O3—H8···S1iii | 0.88 | 2.46 | 3.325 (3) | 168 |
O4—H10···S1iv | 0.89 | 2.39 | 3.279 (2) | 178 |
O6—H13···O5iv | 0.89 | 1.78 | 2.674 (3) | 177 |
O4—H11···O1i | 0.89 | 1.79 | 2.685 (3) | 177 |
O3—H7···S2ii | 0.90 | 2.83 | 3.643 (3) | 152 |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) x−1/2, −y+1/2, z−1/2; (iii) x+1/2, −y+1/2, z−1/2; (iv) −x+1, −y, −z+1. |
Acetate, thiocyanate and pyridine N-oxide (or its derivatives) are very useful bridging ligands and many multi-nuclear complexes have been synthesized using these ligands (Panagiotopoulos et al., 1995; Zhang et al., 2006). Some of these complexes display interesting physical properties. We are interested in compounds containing the three types of ligands and hence we have synthesize the title complex, (I), whose crystal structure is reported here.
The asymmetric unit and symmetry-related fragments of (I) are shown in Fig. 1. In the binuclear structure each SmIII ion is coordinated by nine atoms and Table 1 shows the relative coordinated bond lengths and associated angles, and the distance between Sm1 to Sm1i is 4.5032 (5) Å. Atoms Sm1, O2, Sm1i, O2i [symmetry code: (i) -x + 2, -y,-z + 1] are strictly coplanar and form a parallelogram by virtue of the crystallographic inversion center which is at the middle of the parallelogram. The hydrogen bonds (Table 2) from O atom and S1 atom made the binuclear units connect each other and form the supermolecular two-dimensional sheets on ac plane, and the hydrogen bonds dealing with S2 atom made the sheets pile up along b axis and led to the formation of the supermolecular three-dimensional structure.