Acta Cryst. (2010). E66, m183-m184 [ doi:10.1107/S160053681000190X ]
![[kappa]](/logos/entities/kappa_rmgif.gif)
O)lanthanum(III)]-tri-![[mu]](/logos/entities/mu_rmgif.gif)
-4-ethylbenzoato]The reaction of lanthanum nitrate and 4-ethylbenzoic acid (EBAH) in aqueous solution yielded the title polymer, [La(C9H9O2)3(C9H10O2)(H2O)]n. The asymmetric unit contains one LaIII atom, three 4-ethylbenzoate (EBA) ligands, one neutral EBAH ligand and one coordinated water molecule. Each LaIII ion is eight-coordinated by six O atoms from six bridging-bidentate EBA ligands, one O atom from a monodentate EBAH ligand and one water O atom in a distorted bicapped trigonal-prismatic geometry. The adjacent LaIII ions are linked by the carboxylate groups of EBA ligands in a bridging-bidetate coordination mode, resulting in an infinite chain structure along the c axis. O-H
O hydrogen-bonding interactions involving the water molecules, carboxylate groups and carboxyl H atoms are formed within the one-dimensional polymer. One of the ethyl groups is disordered over two positions with occupancies of 0.717 (7) and 0.283 (7).
A mixture of La(NO3)3.6H2O (0.225 g, 0.52 mmol), EBAH (0.126 g, 0.84 mmol), melamine (0.026 g, 0.20 mmol) and distilled water (10 ml) was sealed in a 25 ml Teflon-lined stainless autoclave. The mixture was heated at 423 K for 7 days to give the colorless prism crystals suitable for X-ray diffraction analysis.
All H atoms bounded to C atoms were positioned geometrically and allowed to ride on their parent atoms, with C (phenyl)—H = 0.93 Å, C (methyl)—H = 0.96 Å, and C (methylene)—H = 0.97 Å, respectively with Uiso (H) = 1.2 Ueq(C). The ethyl group C8—C9 was treated as disordered over two sites, with refined ccupancies 0.717 (7) and 0.283 (7). Positions of the water H atoms and the carboxylic H atom were found from a difference Fourier map and O—H distances constrained to 0.82 Å. Among 14 restraints used in the refinement are those used to restrain geometry of the disordered ethyl group and SHELXL-97 ISOR restraint imposed on the displacement ellipsoids of C27 and C9A.
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); 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 (Sheldrick, 2008).
![[Figure 1]](./gk2253fig1thm.gif)
| Fig. 1. The coordination environment of LaIII in the title complex with the atom-labeling scheme[symmetry codes: (i) -x + 1, -y, -z + 1; (ii) -x + 2, -y, -z + 1] Displacement ellipsoids for non-hydrogen atoms are drawn at the 30% probability level. Hydrogen bonds are shown as dashed lines. |
![[Figure 2]](./gk2253fig2thm.gif)
| Fig. 2. The one-dimensional chain structure of the title compound. |
| [La(C9H9O2)3(C9H10O2)(H2O)] | Z = 2 |
| Mr = 754.58 | F(000) = 768 |
| Triclinic, P1 | Dx = 1.450 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 9.5319 (3) Å | Cell parameters from 4271 reflections |
| b = 14.0378 (5) Å | θ = 1.6–27.4° |
| c = 14.9847 (5) Å | µ = 1.29 mm−1 |
| α = 65.024 (2)° | T = 296 K |
| β = 74.942 (2)° | Prism, colorless |
| γ = 74.734 (2)° | 0.35 × 0.32 × 0.23 mm |
| V = 1727.91 (10) Å3 |
| Bruker APEXII CCD diffractometer | 7733 independent reflections |
| Radiation source: fine-focus sealed tube | 6206 reflections with I > 2σ(I) |
| graphite | Rint = 0.050 |
| φ and ω scans | θmax = 27.4°, θmin = 1.6° |
| Absorption correction: multi-scan (SADABS; Bruker, 2007) | h = −12→12 |
| Tmin = 0.643, Tmax = 0.744 | k = −17→18 |
| 22559 measured reflections | l = −19→19 |
| 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)] = 0.038 | H-atom parameters constrained |
| wR(F2) = 0.077 | w = 1/[σ2(Fo2) + (0.028P)2 + 0.4P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.01 | (Δ/σ)max = 0.001 |
| 7733 reflections | Δρmax = 0.63 e Å−3 |
| 427 parameters | Δρmin = −0.73 e Å−3 |
| 14 restraints | Extinction correction: SHELXL97 (Sheldrick, 2008) |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: none |
| [La(C9H9O2)3(C9H10O2)(H2O)] | γ = 74.734 (2)° |
| Mr = 754.58 | V = 1727.91 (10) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 9.5319 (3) Å | Mo Kα radiation |
| b = 14.0378 (5) Å | µ = 1.29 mm−1 |
| c = 14.9847 (5) Å | T = 296 K |
| α = 65.024 (2)° | 0.35 × 0.32 × 0.23 mm |
| β = 74.942 (2)° |
| Bruker APEXII CCD diffractometer | 7733 independent reflections |
| Absorption correction: multi-scan (SADABS; Bruker, 2007) | 6206 reflections with I > 2σ(I) |
| Tmin = 0.643, Tmax = 0.744 | Rint = 0.050 |
| 22559 measured reflections | θmax = 27.4° |
| R[F2 > 2σ(F2)] = 0.038 | H-atom parameters constrained |
| wR(F2) = 0.077 | Δρmax = 0.63 e Å−3 |
| S = 1.01 | Δρmin = −0.73 e Å−3 |
| 7733 reflections | Absolute structure: ? |
| 427 parameters | Flack parameter: ? |
| 14 restraints | Rogers parameter: ? |
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| La1 | 0.70393 (2) | 0.005772 (14) | 0.529430 (14) | 0.03202 (7) | |
| O1 | 0.8939 (2) | −0.14429 (17) | 0.60351 (17) | 0.0452 (6) | |
| O2 | 1.1201 (2) | −0.12633 (17) | 0.51839 (17) | 0.0425 (6) | |
| O3 | 0.7662 (3) | 0.01235 (19) | 0.69039 (17) | 0.0476 (6) | |
| O4 | 0.5733 (3) | 0.1064 (2) | 0.7549 (2) | 0.0716 (9) | |
| H4A | 0.5546 | 0.1300 | 0.6982 | 0.086* | |
| O5 | 0.5373 (2) | 0.16617 (17) | 0.56793 (17) | 0.0438 (6) | |
| O6 | 0.3932 (3) | 0.11669 (17) | 0.50875 (17) | 0.0451 (6) | |
| O7 | 0.4662 (3) | 0.08426 (18) | 0.32269 (17) | 0.0480 (6) | |
| O8 | 0.6584 (3) | 0.11814 (19) | 0.35678 (17) | 0.0483 (6) | |
| O9 | 0.9081 (3) | −0.0388 (2) | 0.39017 (18) | 0.0582 (7) | |
| H9A | 0.9185 | 0.0072 | 0.3337 | 0.087* | |
| H9B | 0.9818 | −0.0684 | 0.4164 | 0.087* | |
| C1 | 1.0302 (4) | −0.1780 (2) | 0.5892 (2) | 0.0369 (8) | |
| C2 | 1.0876 (4) | −0.2861 (2) | 0.6599 (2) | 0.0382 (8) | |
| C3 | 1.2323 (4) | −0.3347 (3) | 0.6403 (3) | 0.0510 (10) | |
| H3 | 1.2948 | −0.2994 | 0.5832 | 0.061* | |
| C4 | 1.2843 (5) | −0.4349 (3) | 0.7050 (3) | 0.0686 (12) | |
| H4 | 1.3809 | −0.4675 | 0.6900 | 0.082* | |
| C5 | 1.1953 (6) | −0.4879 (3) | 0.7917 (3) | 0.0717 (13) | |
| C6 | 1.0516 (5) | −0.4374 (3) | 0.8123 (3) | 0.0695 (13) | |
| H6 | 0.9906 | −0.4712 | 0.8711 | 0.083* | |
| C7 | 0.9980 (4) | −0.3380 (3) | 0.7470 (3) | 0.0545 (10) | |
| H7 | 0.9011 | −0.3058 | 0.7615 | 0.065* | |
| C8A | 1.243 (2) | −0.6017 (18) | 0.8639 (16) | 0.110 (7) | 0.717 (7) |
| H8A | 1.2931 | −0.5979 | 0.9108 | 0.131* | 0.717 (7) |
| H8B | 1.1553 | −0.6318 | 0.9019 | 0.131* | 0.717 (7) |
| C9A | 1.3372 (10) | −0.6726 (6) | 0.8198 (6) | 0.119 (3) | 0.717 (7) |
| H9C | 1.3514 | −0.7432 | 0.8701 | 0.178* | 0.717 (7) |
| H9D | 1.4307 | −0.6496 | 0.7902 | 0.178* | 0.717 (7) |
| H9E | 1.2930 | −0.6729 | 0.7693 | 0.178* | 0.717 (7) |
| C8B | 1.271 (7) | −0.592 (5) | 0.863 (4) | 0.110 (7) | 0.283 (7) |
| H8C | 1.2841 | −0.6473 | 0.8382 | 0.131* | 0.283 (7) |
| H8D | 1.3690 | −0.5825 | 0.8627 | 0.131* | 0.283 (7) |
| C9B | 1.199 (3) | −0.6280 (15) | 0.9635 (18) | 0.119 (3) | 0.283 (7) |
| H9F | 1.2268 | −0.7040 | 0.9943 | 0.178* | 0.283 (7) |
| H9G | 1.0938 | −0.6101 | 0.9652 | 0.178* | 0.283 (7) |
| H9H | 1.2256 | −0.5945 | 0.9993 | 0.178* | 0.283 (7) |
| C10 | 0.6986 (4) | 0.0379 (3) | 0.7597 (3) | 0.0446 (8) | |
| C11 | 0.7491 (4) | −0.0046 (3) | 0.8568 (3) | 0.0461 (9) | |
| C12 | 0.8705 (5) | −0.0842 (3) | 0.8747 (3) | 0.0613 (11) | |
| H12 | 0.9191 | −0.1116 | 0.8259 | 0.074* | |
| C13 | 0.9214 (5) | −0.1240 (3) | 0.9641 (3) | 0.0703 (13) | |
| H13 | 1.0038 | −0.1779 | 0.9743 | 0.084* | |
| C14 | 0.8540 (5) | −0.0862 (3) | 1.0379 (3) | 0.0637 (11) | |
| C15 | 0.7330 (5) | −0.0069 (4) | 1.0200 (3) | 0.0802 (15) | |
| H15 | 0.6844 | 0.0199 | 1.0691 | 0.096* | |
| C16 | 0.6812 (5) | 0.0343 (4) | 0.9305 (3) | 0.0711 (13) | |
| H16 | 0.5995 | 0.0888 | 0.9202 | 0.085* | |
| C17 | 0.9168 (6) | −0.1315 (4) | 1.1346 (3) | 0.0830 (15) | |
| H17A | 0.9530 | −0.2072 | 1.1509 | 0.100* | |
| H17B | 1.0009 | −0.0983 | 1.1223 | 0.100* | |
| C18 | 0.8160 (7) | −0.1179 (5) | 1.2215 (4) | 0.124 (2) | |
| H18A | 0.7852 | −0.0431 | 1.2089 | 0.186* | |
| H18B | 0.8651 | −0.1520 | 1.2785 | 0.186* | |
| H18C | 0.7312 | −0.1494 | 1.2344 | 0.186* | |
| C19 | 0.4269 (3) | 0.1873 (2) | 0.5257 (2) | 0.0353 (7) | |
| C20 | 0.3432 (3) | 0.2980 (2) | 0.4932 (2) | 0.0368 (8) | |
| C21 | 0.2418 (4) | 0.3307 (3) | 0.4299 (3) | 0.0502 (9) | |
| H21 | 0.2218 | 0.2815 | 0.4105 | 0.060* | |
| C22 | 0.1699 (5) | 0.4353 (3) | 0.3953 (3) | 0.0617 (11) | |
| H22 | 0.1025 | 0.4553 | 0.3527 | 0.074* | |
| C23 | 0.1952 (5) | 0.5096 (3) | 0.4220 (3) | 0.0616 (11) | |
| C24 | 0.2970 (5) | 0.4781 (3) | 0.4853 (4) | 0.0733 (14) | |
| H24 | 0.3158 | 0.5278 | 0.5045 | 0.088* | |
| C25 | 0.3715 (5) | 0.3726 (3) | 0.5205 (3) | 0.0603 (11) | |
| H25 | 0.4399 | 0.3528 | 0.5623 | 0.072* | |
| C26 | 0.1122 (6) | 0.6239 (3) | 0.3830 (4) | 0.0977 (18) | |
| H26A | 0.0694 | 0.6333 | 0.3271 | 0.117* | |
| H26B | 0.0312 | 0.6329 | 0.4351 | 0.117* | |
| C27 | 0.1952 (8) | 0.7071 (4) | 0.3512 (5) | 0.133 (2) | |
| H27A | 0.1389 | 0.7739 | 0.3146 | 0.199* | |
| H27B | 0.2859 | 0.6923 | 0.3090 | 0.199* | |
| H27C | 0.2168 | 0.7111 | 0.4085 | 0.199* | |
| C28 | 0.5754 (4) | 0.1295 (2) | 0.2983 (2) | 0.0381 (8) | |
| C29 | 0.6127 (3) | 0.2007 (2) | 0.1914 (2) | 0.0367 (8) | |
| C30 | 0.7214 (4) | 0.2619 (3) | 0.1596 (3) | 0.0476 (9) | |
| H30 | 0.7741 | 0.2584 | 0.2055 | 0.057* | |
| C31 | 0.7529 (4) | 0.3279 (3) | 0.0608 (3) | 0.0527 (10) | |
| H31 | 0.8253 | 0.3694 | 0.0415 | 0.063* | |
| C32 | 0.6798 (4) | 0.3339 (3) | −0.0099 (3) | 0.0513 (10) | |
| C33 | 0.5723 (5) | 0.2719 (3) | 0.0215 (3) | 0.0579 (11) | |
| H33 | 0.5222 | 0.2739 | −0.0251 | 0.069* | |
| C34 | 0.5373 (4) | 0.2069 (3) | 0.1209 (3) | 0.0520 (10) | |
| H34 | 0.4628 | 0.1670 | 0.1405 | 0.062* | |
| C35 | 0.7126 (5) | 0.4099 (3) | −0.1179 (3) | 0.0732 (13) | |
| H35A | 0.8179 | 0.4101 | −0.1368 | 0.088* | |
| H35B | 0.6846 | 0.3844 | −0.1606 | 0.088* | |
| C36 | 0.6326 (7) | 0.5210 (4) | −0.1346 (4) | 0.117 (2) | |
| H36A | 0.5286 | 0.5209 | −0.1135 | 0.176* | |
| H36B | 0.6519 | 0.5650 | −0.2043 | 0.176* | |
| H36C | 0.6659 | 0.5488 | −0.0967 | 0.176* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| La1 | 0.02659 (10) | 0.03400 (11) | 0.03639 (11) | −0.00694 (7) | −0.01086 (7) | −0.01010 (8) |
| O1 | 0.0330 (13) | 0.0440 (13) | 0.0504 (15) | −0.0023 (11) | −0.0126 (11) | −0.0096 (11) |
| O2 | 0.0350 (13) | 0.0397 (12) | 0.0501 (14) | −0.0112 (10) | −0.0132 (11) | −0.0082 (11) |
| O3 | 0.0458 (14) | 0.0621 (16) | 0.0420 (14) | −0.0068 (12) | −0.0105 (12) | −0.0263 (12) |
| O4 | 0.0567 (18) | 0.100 (2) | 0.0626 (18) | 0.0178 (16) | −0.0241 (15) | −0.0452 (17) |
| O5 | 0.0373 (13) | 0.0446 (13) | 0.0541 (15) | −0.0007 (11) | −0.0208 (11) | −0.0193 (12) |
| O6 | 0.0475 (14) | 0.0380 (13) | 0.0555 (15) | −0.0107 (11) | −0.0110 (12) | −0.0201 (11) |
| O7 | 0.0421 (14) | 0.0552 (15) | 0.0432 (14) | −0.0194 (12) | −0.0068 (11) | −0.0092 (12) |
| O8 | 0.0434 (14) | 0.0552 (15) | 0.0399 (14) | −0.0118 (12) | −0.0186 (11) | −0.0033 (12) |
| O9 | 0.0387 (14) | 0.0818 (19) | 0.0522 (16) | −0.0015 (13) | −0.0134 (12) | −0.0255 (14) |
| C1 | 0.0369 (19) | 0.0352 (17) | 0.044 (2) | −0.0107 (15) | −0.0145 (16) | −0.0136 (15) |
| C2 | 0.0368 (19) | 0.0337 (17) | 0.046 (2) | −0.0073 (14) | −0.0195 (16) | −0.0090 (15) |
| C3 | 0.048 (2) | 0.044 (2) | 0.056 (2) | −0.0015 (17) | −0.0182 (19) | −0.0126 (18) |
| C4 | 0.063 (3) | 0.052 (2) | 0.079 (3) | 0.010 (2) | −0.026 (2) | −0.018 (2) |
| C5 | 0.084 (3) | 0.045 (2) | 0.073 (3) | −0.002 (2) | −0.037 (3) | −0.002 (2) |
| C6 | 0.072 (3) | 0.055 (2) | 0.062 (3) | −0.023 (2) | −0.019 (2) | 0.008 (2) |
| C7 | 0.046 (2) | 0.052 (2) | 0.060 (3) | −0.0148 (18) | −0.0183 (19) | −0.0066 (19) |
| C8A | 0.118 (10) | 0.072 (6) | 0.097 (5) | 0.014 (8) | −0.043 (7) | 0.003 (4) |
| C9A | 0.141 (6) | 0.069 (4) | 0.135 (6) | 0.008 (4) | −0.062 (5) | −0.022 (4) |
| C8B | 0.118 (10) | 0.072 (6) | 0.097 (5) | 0.014 (8) | −0.043 (7) | 0.003 (4) |
| C9B | 0.141 (6) | 0.069 (4) | 0.135 (6) | 0.008 (4) | −0.062 (5) | −0.022 (4) |
| C10 | 0.039 (2) | 0.052 (2) | 0.049 (2) | −0.0111 (17) | −0.0124 (17) | −0.0205 (18) |
| C11 | 0.041 (2) | 0.058 (2) | 0.043 (2) | −0.0056 (17) | −0.0096 (17) | −0.0236 (18) |
| C12 | 0.066 (3) | 0.067 (3) | 0.047 (2) | 0.003 (2) | −0.012 (2) | −0.026 (2) |
| C13 | 0.071 (3) | 0.074 (3) | 0.057 (3) | 0.011 (2) | −0.021 (2) | −0.024 (2) |
| C14 | 0.063 (3) | 0.077 (3) | 0.049 (2) | −0.005 (2) | −0.016 (2) | −0.022 (2) |
| C15 | 0.081 (3) | 0.109 (4) | 0.052 (3) | 0.017 (3) | −0.019 (2) | −0.048 (3) |
| C16 | 0.064 (3) | 0.088 (3) | 0.058 (3) | 0.020 (2) | −0.021 (2) | −0.038 (2) |
| C17 | 0.089 (4) | 0.104 (4) | 0.052 (3) | −0.010 (3) | −0.031 (3) | −0.019 (3) |
| C18 | 0.109 (5) | 0.202 (7) | 0.064 (4) | −0.002 (5) | −0.031 (3) | −0.058 (4) |
| C19 | 0.0304 (17) | 0.0358 (17) | 0.0388 (19) | −0.0061 (14) | −0.0045 (14) | −0.0139 (15) |
| C20 | 0.0323 (17) | 0.0371 (17) | 0.0411 (19) | −0.0046 (14) | −0.0063 (15) | −0.0159 (15) |
| C21 | 0.051 (2) | 0.044 (2) | 0.055 (2) | −0.0051 (17) | −0.0187 (19) | −0.0139 (18) |
| C22 | 0.058 (3) | 0.050 (2) | 0.066 (3) | −0.002 (2) | −0.024 (2) | −0.008 (2) |
| C23 | 0.054 (3) | 0.044 (2) | 0.069 (3) | 0.0001 (19) | −0.004 (2) | −0.014 (2) |
| C24 | 0.087 (3) | 0.049 (3) | 0.100 (4) | −0.007 (2) | −0.020 (3) | −0.043 (3) |
| C25 | 0.066 (3) | 0.049 (2) | 0.081 (3) | 0.001 (2) | −0.028 (2) | −0.037 (2) |
| C26 | 0.083 (4) | 0.046 (3) | 0.128 (5) | 0.002 (2) | −0.004 (3) | −0.015 (3) |
| C27 | 0.157 (5) | 0.058 (3) | 0.184 (6) | −0.007 (3) | −0.073 (5) | −0.028 (4) |
| C28 | 0.0319 (18) | 0.0368 (17) | 0.0400 (19) | −0.0034 (15) | −0.0093 (15) | −0.0091 (15) |
| C29 | 0.0316 (17) | 0.0368 (17) | 0.0379 (18) | −0.0031 (14) | −0.0080 (14) | −0.0111 (15) |
| C30 | 0.045 (2) | 0.056 (2) | 0.042 (2) | −0.0144 (18) | −0.0121 (17) | −0.0128 (17) |
| C31 | 0.045 (2) | 0.058 (2) | 0.050 (2) | −0.0221 (18) | 0.0001 (18) | −0.0124 (19) |
| C32 | 0.058 (2) | 0.047 (2) | 0.041 (2) | −0.0027 (19) | −0.0059 (19) | −0.0143 (17) |
| C33 | 0.077 (3) | 0.059 (2) | 0.041 (2) | −0.011 (2) | −0.027 (2) | −0.0126 (19) |
| C34 | 0.058 (2) | 0.051 (2) | 0.051 (2) | −0.0212 (19) | −0.0182 (19) | −0.0104 (18) |
| C35 | 0.083 (3) | 0.076 (3) | 0.037 (2) | −0.011 (3) | 0.004 (2) | −0.009 (2) |
| C36 | 0.133 (5) | 0.071 (3) | 0.064 (3) | 0.011 (3) | 0.019 (3) | 0.015 (3) |
| La1—O7i | 2.446 (2) | C12—C13 | 1.380 (5) |
| La1—O1 | 2.451 (2) | C12—H12 | 0.9300 |
| La1—O2ii | 2.457 (2) | C13—C14 | 1.365 (5) |
| La1—O6i | 2.466 (2) | C13—H13 | 0.9300 |
| La1—O8 | 2.479 (2) | C14—C15 | 1.369 (5) |
| La1—O5 | 2.581 (2) | C14—C17 | 1.528 (6) |
| La1—O9 | 2.624 (2) | C15—C16 | 1.383 (5) |
| La1—O3 | 2.672 (2) | C15—H15 | 0.9300 |
| La1—O6 | 2.989 (2) | C16—H16 | 0.9300 |
| O1—C1 | 1.255 (4) | C17—C18 | 1.455 (6) |
| O2—C1 | 1.262 (4) | C17—H17A | 0.9700 |
| O2—La1ii | 2.457 (2) | C17—H17B | 0.9700 |
| O3—C10 | 1.212 (4) | C18—H18A | 0.9600 |
| O4—C10 | 1.318 (4) | C18—H18B | 0.9600 |
| O4—H4A | 0.8200 | C18—H18C | 0.9600 |
| O5—C19 | 1.272 (4) | C19—C20 | 1.482 (4) |
| O6—C19 | 1.255 (4) | C20—C25 | 1.381 (5) |
| O6—La1i | 2.466 (2) | C20—C21 | 1.385 (5) |
| O7—C28 | 1.255 (4) | C21—C22 | 1.381 (5) |
| O7—La1i | 2.446 (2) | C21—H21 | 0.9300 |
| O8—C28 | 1.263 (4) | C22—C23 | 1.358 (6) |
| O9—H9A | 0.8199 | C22—H22 | 0.9300 |
| O9—H9B | 0.8200 | C23—C24 | 1.390 (6) |
| C1—C2 | 1.494 (4) | C23—C26 | 1.524 (5) |
| C2—C7 | 1.382 (5) | C24—C25 | 1.399 (5) |
| C2—C3 | 1.385 (5) | C24—H24 | 0.9300 |
| C3—C4 | 1.377 (5) | C25—H25 | 0.9300 |
| C3—H3 | 0.9300 | C26—C27 | 1.428 (7) |
| C4—C5 | 1.380 (6) | C26—H26A | 0.9700 |
| C4—H4 | 0.9300 | C26—H26B | 0.9700 |
| C5—C6 | 1.389 (6) | C27—H27A | 0.9600 |
| C5—C8B | 1.527 (12) | C27—H27B | 0.9600 |
| C5—C8A | 1.530 (9) | C27—H27C | 0.9600 |
| C6—C7 | 1.377 (5) | C28—C29 | 1.494 (4) |
| C6—H6 | 0.9300 | C29—C30 | 1.380 (5) |
| C7—H7 | 0.9300 | C29—C34 | 1.388 (5) |
| C8A—C9A | 1.42 (3) | C30—C31 | 1.378 (5) |
| C8A—H8A | 0.9700 | C30—H30 | 0.9300 |
| C8A—H8B | 0.9700 | C31—C32 | 1.376 (5) |
| C9A—H9C | 0.9600 | C31—H31 | 0.9300 |
| C9A—H9D | 0.9600 | C32—C33 | 1.379 (5) |
| C9A—H9E | 0.9600 | C32—C35 | 1.520 (5) |
| C8B—C9B | 1.41 (3) | C33—C34 | 1.385 (5) |
| C8B—H8C | 0.9700 | C33—H33 | 0.9300 |
| C8B—H8D | 0.9700 | C34—H34 | 0.9300 |
| C9B—H9F | 0.9600 | C35—C36 | 1.491 (6) |
| C9B—H9G | 0.9600 | C35—H35A | 0.9700 |
| C9B—H9H | 0.9600 | C35—H35B | 0.9700 |
| C10—C11 | 1.478 (5) | C36—H36A | 0.9600 |
| C11—C16 | 1.374 (5) | C36—H36B | 0.9600 |
| C11—C12 | 1.374 (5) | C36—H36C | 0.9600 |
| O7i—La1—O1 | 85.28 (8) | C12—C11—C10 | 119.7 (3) |
| O7i—La1—O2ii | 138.39 (8) | C11—C12—C13 | 120.8 (4) |
| O1—La1—O2ii | 88.76 (7) | C11—C12—H12 | 119.6 |
| O7i—La1—O6i | 72.11 (8) | C13—C12—H12 | 119.6 |
| O1—La1—O6i | 88.38 (8) | C14—C13—C12 | 121.7 (4) |
| O2ii—La1—O6i | 148.91 (8) | C14—C13—H13 | 119.1 |
| O7i—La1—O8 | 129.46 (8) | C12—C13—H13 | 119.1 |
| O1—La1—O8 | 134.90 (8) | C13—C14—C15 | 117.3 (4) |
| O2ii—La1—O8 | 81.26 (8) | C13—C14—C17 | 119.6 (4) |
| O6i—La1—O8 | 79.01 (8) | C15—C14—C17 | 123.1 (4) |
| O7i—La1—O5 | 78.89 (8) | C14—C15—C16 | 121.6 (4) |
| O1—La1—O5 | 137.55 (8) | C14—C15—H15 | 119.2 |
| O2ii—La1—O5 | 78.19 (7) | C16—C15—H15 | 119.2 |
| O6i—La1—O5 | 122.55 (7) | C11—C16—C15 | 120.7 (4) |
| O8—La1—O5 | 83.19 (8) | C11—C16—H16 | 119.7 |
| O7i—La1—O9 | 138.96 (8) | C15—C16—H16 | 119.7 |
| O1—La1—O9 | 69.14 (8) | C18—C17—C14 | 116.4 (4) |
| O2ii—La1—O9 | 74.56 (8) | C18—C17—H17A | 108.2 |
| O6i—La1—O9 | 75.51 (8) | C14—C17—H17A | 108.2 |
| O8—La1—O9 | 65.79 (8) | C18—C17—H17B | 108.2 |
| O5—La1—O9 | 141.12 (8) | C14—C17—H17B | 108.2 |
| O7i—La1—O3 | 70.76 (8) | H17A—C17—H17B | 107.3 |
| O1—La1—O3 | 67.79 (7) | C17—C18—H18A | 109.5 |
| O2ii—La1—O3 | 68.89 (8) | C17—C18—H18B | 109.5 |
| O6i—La1—O3 | 137.01 (8) | H18A—C18—H18B | 109.5 |
| O8—La1—O3 | 142.87 (8) | C17—C18—H18C | 109.5 |
| O5—La1—O3 | 69.82 (7) | H18A—C18—H18C | 109.5 |
| O9—La1—O3 | 122.91 (7) | H18B—C18—H18C | 109.5 |
| O7i—La1—O6 | 69.86 (7) | O6—C19—O5 | 120.5 (3) |
| O1—La1—O6 | 154.19 (7) | O6—C19—C20 | 120.8 (3) |
| O2ii—La1—O6 | 114.27 (7) | O5—C19—C20 | 118.7 (3) |
| O6i—La1—O6 | 77.73 (7) | C25—C20—C21 | 118.4 (3) |
| O8—La1—O6 | 63.95 (7) | C25—C20—C19 | 120.4 (3) |
| O5—La1—O6 | 45.66 (7) | C21—C20—C19 | 121.0 (3) |
| O9—La1—O6 | 126.33 (7) | C22—C21—C20 | 120.9 (4) |
| O3—La1—O6 | 108.39 (7) | C22—C21—H21 | 119.5 |
| C1—O1—La1 | 141.5 (2) | C20—C21—H21 | 119.5 |
| C1—O2—La1ii | 144.6 (2) | C23—C22—C21 | 121.5 (4) |
| C10—O3—La1 | 136.8 (2) | C23—C22—H22 | 119.2 |
| C10—O4—H4A | 109.2 | C21—C22—H22 | 119.2 |
| C19—O5—La1 | 104.12 (19) | C22—C23—C24 | 118.3 (4) |
| C19—O6—La1i | 172.4 (2) | C22—C23—C26 | 119.8 (5) |
| C19—O6—La1 | 85.22 (18) | C24—C23—C26 | 122.0 (4) |
| La1i—O6—La1 | 102.27 (7) | C23—C24—C25 | 120.9 (4) |
| C28—O7—La1i | 140.7 (2) | C23—C24—H24 | 119.5 |
| C28—O8—La1 | 139.7 (2) | C25—C24—H24 | 119.5 |
| La1—O9—H9A | 119.0 | C20—C25—C24 | 119.9 (4) |
| La1—O9—H9B | 105.1 | C20—C25—H25 | 120.0 |
| H9A—O9—H9B | 117.6 | C24—C25—H25 | 120.0 |
| O1—C1—O2 | 123.7 (3) | C27—C26—C23 | 116.9 (5) |
| O1—C1—C2 | 117.6 (3) | C27—C26—H26A | 108.1 |
| O2—C1—C2 | 118.7 (3) | C23—C26—H26A | 108.1 |
| C7—C2—C3 | 119.0 (3) | C27—C26—H26B | 108.1 |
| C7—C2—C1 | 120.4 (3) | C23—C26—H26B | 108.1 |
| C3—C2—C1 | 120.5 (3) | H26A—C26—H26B | 107.3 |
| C4—C3—C2 | 120.3 (4) | C26—C27—H27A | 109.5 |
| C4—C3—H3 | 119.8 | C26—C27—H27B | 109.5 |
| C2—C3—H3 | 119.8 | H27A—C27—H27B | 109.5 |
| C3—C4—C5 | 121.1 (4) | C26—C27—H27C | 109.5 |
| C3—C4—H4 | 119.5 | H27A—C27—H27C | 109.5 |
| C5—C4—H4 | 119.5 | H27B—C27—H27C | 109.5 |
| C4—C5—C6 | 118.2 (4) | O7—C28—O8 | 125.1 (3) |
| C4—C5—C8B | 115.9 (19) | O7—C28—C29 | 117.8 (3) |
| C6—C5—C8B | 125.3 (17) | O8—C28—C29 | 117.1 (3) |
| C4—C5—C8A | 123.8 (8) | C30—C29—C34 | 118.1 (3) |
| C6—C5—C8A | 117.9 (8) | C30—C29—C28 | 121.8 (3) |
| C7—C6—C5 | 121.0 (4) | C34—C29—C28 | 120.1 (3) |
| C7—C6—H6 | 119.5 | C31—C30—C29 | 120.8 (3) |
| C5—C6—H6 | 119.5 | C31—C30—H30 | 119.6 |
| C6—C7—C2 | 120.3 (4) | C29—C30—H30 | 119.6 |
| C6—C7—H7 | 119.9 | C32—C31—C30 | 121.6 (4) |
| C2—C7—H7 | 119.9 | C32—C31—H31 | 119.2 |
| C9A—C8A—C5 | 116.0 (15) | C30—C31—H31 | 119.2 |
| C9A—C8A—H8A | 108.3 | C31—C32—C33 | 117.7 (3) |
| C5—C8A—H8A | 108.3 | C31—C32—C35 | 120.8 (4) |
| C9A—C8A—H8B | 108.3 | C33—C32—C35 | 121.5 (4) |
| C5—C8A—H8B | 108.3 | C32—C33—C34 | 121.4 (4) |
| H8A—C8A—H8B | 107.4 | C32—C33—H33 | 119.3 |
| C9B—C8B—C5 | 116 (3) | C34—C33—H33 | 119.3 |
| C9B—C8B—H8C | 108.2 | C33—C34—C29 | 120.4 (4) |
| C5—C8B—H8C | 108.2 | C33—C34—H34 | 119.8 |
| C5—C8B—H8D | 108.2 | C29—C34—H34 | 119.8 |
| H8C—C8B—H8D | 107.4 | C36—C35—C32 | 112.5 (3) |
| C8B—C9B—H9F | 109.5 | C36—C35—H35A | 109.1 |
| C8B—C9B—H9G | 109.5 | C32—C35—H35A | 109.1 |
| H9F—C9B—H9G | 109.5 | C36—C35—H35B | 109.1 |
| C8B—C9B—H9H | 109.5 | C32—C35—H35B | 109.1 |
| H9F—C9B—H9H | 109.5 | H35A—C35—H35B | 107.8 |
| H9G—C9B—H9H | 109.5 | C35—C36—H36A | 109.5 |
| O3—C10—O4 | 122.7 (3) | C35—C36—H36B | 109.5 |
| O3—C10—C11 | 123.2 (3) | H36A—C36—H36B | 109.5 |
| O4—C10—C11 | 114.1 (3) | C35—C36—H36C | 109.5 |
| C16—C11—C12 | 117.8 (4) | H36A—C36—H36C | 109.5 |
| C16—C11—C10 | 122.5 (3) | H36B—C36—H36C | 109.5 |
| Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+2, −y, −z+1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4—H4A···O5 | 0.82 | 1.84 | 2.652 (3) | 171 |
| O9—H9B···O2 | 0.82 | 2.04 | 2.829 (3) | 161 |
| La1—O7i | 2.446 (2) | La1—O8 | 2.479 (2) |
| La1—O1 | 2.451 (2) | La1—O5 | 2.581 (2) |
| La1—O2ii | 2.457 (2) | La1—O9 | 2.624 (2) |
| La1—O6i | 2.466 (2) | La1—O3 | 2.672 (2) |
| Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+2, −y, −z+1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4—H4A···O5 | 0.82 | 1.84 | 2.652 (3) | 171 |
| O9—H9B···O2 | 0.82 | 2.04 | 2.829 (3) | 161 |
The authors acknowledge support from the Doctoral Foundation of Henan Polytechnic University (B2008–58 648265).
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Ishii, T., Matsuzaka, H. & Yamashita, M. (2002). J. Am. Chem. Soc. 124, 2568–2583.
Kim, J., Chen, B., Reneke, T. M., Li, H., Eddaoudi, M., Moler, D. B., O'Keeffe, M. & Yaghi, O. M. (2001). J. Am. Chem. Soc. 123, 8239–8247.
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Recently, the use of lanthanide salts for the synthesis of coordination polymer has attracted more and more attentions due to their high coordination numbers along with distinguished magnetic and luminescent properties (Ishii et al., 2002; Luneau & Rey, 2005; Yu et al., 2003). As an important family of multidentate O-donor ligands, aromatic carboxylate ligands have been extensively employed in the preparation of metal-organic complexes because of their potential properties and intriguing structural topologies (Kim et al., 2001; Wang et al., 2006). Herein, we report the structure of the title LaIII coordibation polymer.
The asymmetric unit of the title compound, [La(C9H9O2)3(C9H10O2)(H2O)]n contains one LaIII cation, three anionic EBA ligands, one neutral ligand EBAH and one water molecule, as illustrated in Fig. 1. The LaIII atom is coordinated by eight O atoms from six bridging-bidentate EBA ligands, one monodentate EBAH ligand and one water molecule. The LaIII center adopts a distorted bicapped trigonal prism geometry. The carboxylate groups of EBA ligands link the adjacent LaIII ions in bridging-bidetate coordination modeto form an infinite chain structure running along the c axis. The shortest intermetallic distance La···La is 4.2601 (4) Å, indicating a weak metal-metal interaction. The coordinating water, carboxylate O atoms of EBA ligands and carboxylic H atom of EBAH ligand are involved in O—H···O hydrogen-bonding interactions. These hydrogen bonds are all intramolecular, i.e. stabilize the one-dimensional chain structure of the title polymer (Table 2).