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Acta Cryst. (2008). E64, m15-m16    [ doi:10.1107/S1600536807062241 ]

Tetrakis([mu]-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]

C.-S. Liu, L.-F. Yan, Z. Chang and J.-J. Wang

Abstract top

The title complex, [La2(C15H9O2)6(C10H8N2)2], has a centrosymmetric binuclear cage structure in which two LaIII atoms are both nine-coordinated and bridged by four anthracene-9-carboxylate ligands, with an La...La separation of 4.0880 (4) Å. The remaining coordination sites are occupied by two N atoms of a 2,2'-bipyridine (bipy) and two O atoms of an anthracene-9-carboxylate ligand. The six anthracene-9-carboxylate groups coordinate each LaIII atom in three different ways. Adjacent discrete dinuclear units are arranged into a one-dimensional chain along the [111] direction by intermolecular [pi]-[pi] stacking interactions, with a centroid-centroid separation of 3.704 (7) Å.

Comment top

In recent years, the rational design and synthesis of functional rare-earth (RE) coordination complexes with various N– and/or O-donor ligands has attracted great interest not only because of their fascinating structural diversities but also becasue of their potential applications as functional materials, for example, optical materials, electronic materials, catalytic materials, and molecular-based magnets (Bünzli, 2006; Fu et al., 2005; Suárez et al., 2004). The effective and facile approach for the synthesis of such complexes is still the appropriate choice of well designed organic ligands as bridges or terminal groups (building blocks), with metal ions or metal clusters as nodes (Ye et al., 2005). Among such ligands, versatile carboxylic acids exhibiting diverse coordination modes have been well used in the preparations of various functional rare-earth (RE) complexes (Roh et al., 2005; Shi et al., 2001; Wan et al., 2003; Wang et al., 1999; Wang et al., 2006). Besides, the introduction of 2,2'-bipyridyl-like bidentate chelating molecules (2,2'-bipyridine or 1,10-phenanthroline) into the reaction systems, the use of various carboxylic acid ligands, as auxiliary ligands, can generate some interesting coordination architectures (Ye et al., 2005). We report here the crystal structure of the title complex (I), a LaIII complex with anthracene-9-carboxylate (L) and chelating 2,2'-bipyridine (bipy) as ligands.

The structure of complex (I) consists of a centrosymmetric dinuclear unit [La2(L)6(bipy)2] with central LaIII ions nine-coordinated by two N-atom donors from one chelating bipy ligand and seven O atoms from five distinct L ligands (Fig. 1). The La–O distances are in the range of 2.4561 (18) - 2.687 (2) Å, which are normal and in agreement with those found in other carboxylato-containing LaIII complexes (Shi et al., 2001). The ligand bipy acts as a typical chelating ligand coordinating to the LaIII ion with La–N bond distances of 2.730 (2) and 2.741 (2) Å, and an N–La–N angle of 59.30 (7)°. For L, there exists three different kinds of carboxylic coordination modes with the LaIII center, namely syn-syn bridging (µ2-η1:η1-bridging), symmetric bidentate chelate ((µ1-η1:η1-chelating), and tridentate chelating/bridging (η-O,O'-µ-O,O). In this manner two LaIII ions are connected to form an eight-membered ring [La(1)–O(1)–C(31)–O(5 A)–La(1 A)–O(1 A)–C(31 A)–O(5)], as well as a four-membered ring [La(1)–O(2)–La(1 A)–O(2 A)]. The non-bonding La(1)···La(1 A) separation is 4.0880 (4) Å (symmetry operation (A) = 1 - x, 1 - y, 1 - z).

In the crystal adjacent dinuclear [La2(L)6(bipy)2] units are arranged into one-dimensional chains, along the [111] direction, by the intermolecular π···π stacking interactions (symmetry operation: 2 - x, 2 - y, 2 - z; dashed solid lines in Fig. 2) between the completely parallel anthracene rings of different L ligands, with a centroid-centroid separation of 3.704 (7) Å (Janiak et al., 2000).

Related literature top

For related literature, see: Bünzli (2006); Fu et al. (2005); Janiak (2000); Roh et al. (2005); Shi et al. (2001); Suárez et al. (2004); Wan et al. (2003); Wang et al. (1999, 2006); Ye et al. (2005).

Experimental top

A mixed solution of anthracene-9-carboxylic acid (0.05 mmol) and 2,2'-bipyridine (0.05 mmol) in CH3OH (10 ml) in the presence of excess 2,6-dimethylpyridine (ca 0.05 ml for adjusting the pH value to basic condition) was carefully layered on top of a H2O solution (15 ml) of La(NO3)3 (0.1 mmol) in a test tube. Yellow single crystals suitable for X-ray analysis of the title complex (I) appeared at the tube wall after ca two weeks at room temperature. Yield: ~40% based on anthracene-9-carboxylic acid. Elemental analysis calculated for C110H70La2O12N4: C 68.90, H 3.68, N 2.92%; found: C 68.69, H 3.77, N 3.03%.

Refinement top

H atoms were included in calculated positions and treated as riding atoms, with C—H = 0.93 Å (aromatic) and Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

Figures top
[Figure 1] Fig. 1. The molecular structure of complex (I). Displacement ellipsoids are drawn at the 30% probability level. Atoms labelled with the suffix A are generated by the symmetry operation (1 - x, 1 - y, 1 - z). For the sake of clarity, all H atoms have been omitted.
[Figure 2] Fig. 2. Part of the crystal packing in complex (I), showing a π···π stacking (dashed solid lines) chain. All H atoms have been omitted for clarity.
Tetrakis(µ-anthracene-9-carboxylato)bis[(anthracene-9- carboxylato)(2,2'-bipyridyl)lanthanum(III)] top
Crystal data top
[La2(C15H9O2)6(C10H8N2)2]Z = 1
Mr = 1917.52F000 = 968
Triclinic, P1Dx = 1.504 Mg m−3
Hall symbol: -P 1Mo Kα radiation
λ = 0.71073 Å
a = 12.1038 (7) ÅCell parameters from 6220 reflections
b = 13.4887 (8) Åθ = 2.4–28.2º
c = 15.4568 (14) ŵ = 1.07 mm−1
α = 113.036 (4)ºT = 273 (2) K
β = 103.257 (4)ºBlock, yellow
γ = 102.913 (3)º0.20 × 0.14 × 0.12 mm
V = 2117.7 (3) Å3
Data collection top
CCD area-detector
diffractometer		7432 independent reflections
Radiation source: fine-focus sealed tube6474 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.045
T = 273(2) Kθmax = 25.0º
φ and ω scansθmin = 1.7º
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		h = −14→14
Tmin = 0.815, Tmax = 0.883k = −16→13
32552 measured reflectionsl = −18→18
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.029H-atom parameters constrained
wR(F2) = 0.076  w = 1/[σ2(Fo2) + (0.0402P)2 + 0.7206P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.008
7432 reflectionsΔρmax = 0.79 e Å−3
577 parametersΔρmin = −0.86 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[La2(C15H9O2)6(C10H8N2)2]γ = 102.913 (3)º
Mr = 1917.52V = 2117.7 (3) Å3
Triclinic, P1Z = 1
a = 12.1038 (7) ÅMo Kα
b = 13.4887 (8) ŵ = 1.07 mm−1
c = 15.4568 (14) ÅT = 273 (2) K
α = 113.036 (4)º0.20 × 0.14 × 0.12 mm
β = 103.257 (4)º
Data collection top
CCD area-detector
diffractometer		7432 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		6474 reflections with I > 2σ(I)
Tmin = 0.815, Tmax = 0.883Rint = 0.045
32552 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.029577 parameters
wR(F2) = 0.076H-atom parameters constrained
S = 1.05Δρmax = 0.79 e Å−3
7432 reflectionsΔρmin = −0.86 e Å−3
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
xyzUiso*/Ueq
La10.676202 (12)0.570648 (12)0.595266 (10)0.03410 (7)
C10.4637 (3)0.2753 (2)0.4356 (2)0.0417 (6)
C20.5386 (2)0.2008 (2)0.4404 (2)0.0413 (6)
C30.5804 (3)0.1540 (2)0.3612 (2)0.0470 (7)
C40.5564 (3)0.1751 (3)0.2769 (3)0.0621 (9)
H4A0.50980.22040.27240.074*
C50.6003 (4)0.1301 (4)0.2026 (3)0.0801 (12)
H5A0.58450.14550.14830.096*
C60.6698 (4)0.0602 (4)0.2080 (3)0.0879 (14)
H6A0.69920.02950.15670.105*
C70.6943 (4)0.0371 (3)0.2856 (3)0.0772 (11)
H7A0.7398−0.00980.28690.093*
C80.6519 (3)0.0833 (3)0.3665 (3)0.0553 (8)
C90.6768 (3)0.0623 (3)0.4482 (3)0.0614 (9)
H9A0.72220.01550.45040.074*
C100.6364 (3)0.1086 (3)0.5273 (3)0.0524 (8)
C110.6596 (3)0.0849 (3)0.6105 (3)0.0678 (10)
H11A0.70370.03720.61290.081*
C120.6187 (4)0.1304 (4)0.6856 (3)0.0742 (11)
H12A0.63460.11370.73920.089*
C130.5520 (4)0.2029 (3)0.6833 (3)0.0685 (10)
H13A0.52540.23500.73610.082*
C140.5261 (3)0.2266 (3)0.6052 (2)0.0549 (8)
H14A0.48110.27420.60510.066*
C150.5660 (2)0.1803 (2)0.5236 (2)0.0438 (7)
C160.8859 (2)0.7626 (2)0.7512 (2)0.0419 (7)
C170.9949 (3)0.8618 (2)0.8350 (2)0.0442 (7)
C181.0854 (3)0.8381 (3)0.8901 (2)0.0494 (7)
C191.0865 (3)0.7256 (3)0.8641 (3)0.0663 (10)
H19A1.02510.66360.80790.080*
C201.1754 (4)0.7066 (4)0.9198 (4)0.0891 (13)
H20A1.17520.63200.90050.107*
C211.2676 (4)0.7984 (4)1.0063 (4)0.0918 (14)
H21A1.32720.78401.04450.110*
C221.2707 (3)0.9062 (4)1.0342 (3)0.0714 (11)
H22A1.33280.96581.09160.086*
C231.1809 (3)0.9318 (3)0.9780 (2)0.0505 (8)
C241.1819 (3)1.0422 (3)1.0058 (2)0.0502 (8)
H24A1.24211.10201.06440.060*
C251.0950 (3)1.0675 (2)0.9486 (2)0.0449 (7)
C261.0969 (3)1.1815 (3)0.9768 (2)0.0562 (8)
H26A1.15791.24221.03440.067*
C271.0122 (4)1.2028 (3)0.9217 (3)0.0664 (10)
H27A1.01441.27810.94180.080*
C280.9189 (3)1.1124 (3)0.8327 (3)0.0662 (9)
H28A0.86231.12930.79420.079*
C290.9114 (3)1.0020 (3)0.8034 (2)0.0518 (8)
H29A0.84880.94340.74580.062*
C300.9994 (3)0.9749 (2)0.8606 (2)0.0441 (7)
C310.4199 (3)0.4836 (2)0.6572 (2)0.0398 (6)
C320.3754 (2)0.4597 (2)0.7333 (2)0.0405 (6)
C330.4244 (3)0.5438 (3)0.8357 (2)0.0432 (7)
C340.5145 (3)0.6538 (3)0.8742 (2)0.0510 (7)
H34A0.54380.67360.83040.061*
C350.5585 (3)0.7305 (3)0.9737 (2)0.0606 (9)
H35A0.61690.80170.99630.073*
C360.5174 (3)0.7041 (3)1.0432 (3)0.0646 (9)
H36A0.54970.75661.11120.078*
C370.4315 (3)0.6030 (3)1.0101 (3)0.0620 (9)
H37A0.40400.58641.05600.074*
C380.3804 (3)0.5196 (3)0.9068 (2)0.0506 (7)
C390.2918 (3)0.4143 (3)0.8735 (3)0.0610 (9)
H39A0.26360.39920.91980.073*
C400.2441 (3)0.3311 (3)0.7739 (3)0.0548 (8)
C410.1542 (4)0.2229 (4)0.7433 (4)0.0769 (11)
H41A0.12730.20880.79050.092*
C420.1084 (4)0.1412 (4)0.6463 (4)0.0841 (13)
H42A0.04960.07140.62690.101*
C430.1487 (3)0.1611 (3)0.5753 (3)0.0732 (11)
H43A0.11660.10350.50900.088*
C440.2334 (3)0.2621 (3)0.6001 (3)0.0572 (8)
H44A0.25810.27230.55050.069*
C450.2853 (3)0.3533 (3)0.7012 (2)0.0466 (7)
C460.8254 (3)0.4121 (3)0.4462 (2)0.0567 (8)
H46A0.78740.44050.40670.068*
C470.8931 (3)0.3470 (3)0.4104 (3)0.0637 (9)
H47A0.89970.33130.34800.076*
C480.9498 (4)0.3063 (3)0.4680 (3)0.0731 (11)
H48A0.99770.26370.44640.088*
C490.9358 (3)0.3287 (3)0.5586 (3)0.0682 (10)
H49A0.97280.29990.59820.082*
C500.8664 (3)0.3944 (2)0.5909 (2)0.0478 (7)
C510.8494 (3)0.4215 (2)0.6884 (2)0.0482 (7)
C520.9075 (4)0.3890 (4)0.7559 (3)0.0806 (12)
H52A0.95790.34720.74000.097*
C530.8904 (4)0.4186 (4)0.8458 (3)0.0865 (13)
H53A0.92990.39790.89150.104*
C540.8158 (4)0.4782 (3)0.8680 (3)0.0648 (9)
H54A0.80260.49850.92860.078*
C550.7601 (3)0.5081 (3)0.7987 (2)0.0530 (8)
H55A0.70890.54920.81400.064*
N10.7758 (2)0.4809 (2)0.71062 (18)0.0458 (6)
N20.8112 (2)0.4367 (2)0.53454 (18)0.0477 (6)
O10.53299 (17)0.53114 (18)0.68098 (14)0.0478 (5)
O20.51838 (17)0.38292 (15)0.47574 (14)0.0429 (5)
O30.3521 (2)0.23338 (18)0.3940 (2)0.0691 (7)
O40.79298 (19)0.73251 (18)0.77239 (15)0.0539 (5)
O50.65790 (17)0.54654 (17)0.42597 (14)0.0463 (5)
O60.88922 (19)0.7120 (2)0.66595 (16)0.0647 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
La10.02422 (9)0.03431 (10)0.03495 (10)0.00919 (7)0.00716 (7)0.01018 (7)
C10.0407 (16)0.0328 (14)0.0416 (15)0.0117 (13)0.0086 (13)0.0118 (12)
C20.0337 (15)0.0296 (13)0.0490 (16)0.0089 (11)0.0086 (13)0.0120 (12)
C30.0426 (16)0.0338 (14)0.0514 (17)0.0087 (13)0.0115 (14)0.0127 (13)
C40.064 (2)0.056 (2)0.057 (2)0.0152 (17)0.0173 (17)0.0218 (17)
C50.090 (3)0.077 (3)0.062 (2)0.018 (2)0.032 (2)0.025 (2)
C60.097 (3)0.075 (3)0.080 (3)0.025 (3)0.052 (3)0.016 (2)
C70.075 (3)0.065 (2)0.093 (3)0.035 (2)0.046 (2)0.023 (2)
C80.0467 (18)0.0410 (16)0.070 (2)0.0174 (14)0.0216 (16)0.0167 (15)
C90.0497 (19)0.0471 (18)0.086 (3)0.0260 (16)0.0185 (18)0.0275 (18)
C100.0399 (17)0.0426 (16)0.066 (2)0.0122 (14)0.0061 (15)0.0253 (15)
C110.053 (2)0.062 (2)0.081 (3)0.0163 (18)0.0016 (19)0.040 (2)
C120.069 (3)0.078 (3)0.065 (2)0.009 (2)0.005 (2)0.042 (2)
C130.070 (2)0.068 (2)0.055 (2)0.012 (2)0.0168 (18)0.0258 (18)
C140.0515 (19)0.0472 (17)0.0571 (19)0.0133 (15)0.0149 (16)0.0205 (15)
C150.0345 (15)0.0336 (14)0.0507 (17)0.0076 (12)0.0062 (13)0.0148 (13)
C160.0257 (14)0.0412 (15)0.0504 (17)0.0108 (12)0.0085 (12)0.0166 (13)
C170.0319 (15)0.0437 (16)0.0445 (16)0.0089 (12)0.0115 (13)0.0123 (13)
C180.0317 (15)0.0540 (18)0.0555 (18)0.0139 (14)0.0116 (14)0.0216 (15)
C190.0448 (19)0.056 (2)0.079 (2)0.0209 (16)0.0081 (17)0.0194 (18)
C200.074 (3)0.080 (3)0.110 (3)0.048 (2)0.018 (3)0.038 (3)
C210.061 (3)0.097 (3)0.101 (3)0.046 (2)0.005 (2)0.034 (3)
C220.0365 (18)0.086 (3)0.069 (2)0.0188 (18)−0.0009 (17)0.027 (2)
C230.0316 (15)0.059 (2)0.0506 (17)0.0093 (14)0.0103 (13)0.0217 (15)
C240.0334 (15)0.0551 (19)0.0411 (16)0.0009 (14)0.0056 (13)0.0144 (14)
C250.0396 (16)0.0440 (16)0.0381 (15)0.0003 (13)0.0121 (13)0.0155 (13)
C260.057 (2)0.0443 (17)0.0518 (18)0.0040 (15)0.0138 (16)0.0183 (15)
C270.080 (3)0.0425 (18)0.070 (2)0.0149 (18)0.019 (2)0.0273 (17)
C280.062 (2)0.066 (2)0.071 (2)0.0210 (18)0.0108 (19)0.0391 (19)
C290.0437 (17)0.0533 (18)0.0469 (17)0.0085 (14)0.0063 (14)0.0225 (15)
C300.0372 (15)0.0477 (16)0.0400 (15)0.0062 (13)0.0111 (13)0.0195 (13)
C310.0392 (16)0.0403 (15)0.0402 (15)0.0177 (13)0.0162 (13)0.0157 (12)
C320.0314 (14)0.0476 (16)0.0484 (16)0.0188 (13)0.0147 (13)0.0250 (13)
C330.0378 (15)0.0534 (17)0.0501 (16)0.0233 (14)0.0197 (13)0.0288 (14)
C340.0517 (18)0.0562 (18)0.0481 (17)0.0194 (15)0.0232 (15)0.0239 (15)
C350.055 (2)0.064 (2)0.0520 (19)0.0182 (17)0.0194 (16)0.0186 (16)
C360.063 (2)0.080 (3)0.0449 (18)0.031 (2)0.0173 (17)0.0215 (18)
C370.067 (2)0.086 (3)0.0514 (19)0.036 (2)0.0290 (18)0.0400 (19)
C380.0497 (18)0.064 (2)0.0537 (18)0.0286 (16)0.0238 (15)0.0348 (16)
C390.062 (2)0.076 (2)0.070 (2)0.0271 (19)0.0358 (18)0.050 (2)
C400.0447 (17)0.0577 (19)0.076 (2)0.0205 (15)0.0251 (17)0.0416 (18)
C410.063 (2)0.073 (3)0.108 (3)0.015 (2)0.036 (2)0.057 (3)
C420.064 (3)0.058 (2)0.117 (4)0.003 (2)0.022 (3)0.042 (3)
C430.056 (2)0.054 (2)0.082 (3)0.0096 (18)0.008 (2)0.0211 (19)
C440.0427 (18)0.0528 (19)0.068 (2)0.0162 (15)0.0133 (16)0.0241 (16)
C450.0339 (15)0.0495 (17)0.0608 (18)0.0194 (13)0.0159 (14)0.0276 (15)
C460.0452 (18)0.067 (2)0.0551 (19)0.0247 (16)0.0202 (15)0.0216 (16)
C470.053 (2)0.069 (2)0.065 (2)0.0260 (18)0.0319 (18)0.0183 (18)
C480.065 (2)0.075 (2)0.099 (3)0.046 (2)0.048 (2)0.037 (2)
C490.066 (2)0.073 (2)0.090 (3)0.047 (2)0.042 (2)0.041 (2)
C500.0342 (15)0.0405 (16)0.0613 (19)0.0153 (13)0.0123 (14)0.0181 (14)
C510.0399 (16)0.0421 (16)0.0556 (18)0.0166 (13)0.0095 (14)0.0193 (14)
C520.097 (3)0.090 (3)0.077 (3)0.066 (3)0.029 (2)0.043 (2)
C530.113 (4)0.097 (3)0.072 (3)0.064 (3)0.025 (3)0.051 (2)
C540.072 (2)0.068 (2)0.0527 (19)0.0237 (19)0.0171 (18)0.0290 (17)
C550.0466 (18)0.0565 (19)0.0508 (18)0.0193 (15)0.0131 (15)0.0218 (15)
N10.0374 (13)0.0460 (14)0.0504 (14)0.0164 (11)0.0131 (11)0.0195 (11)
N20.0338 (13)0.0489 (14)0.0506 (14)0.0163 (11)0.0147 (11)0.0129 (12)
O10.0324 (11)0.0619 (13)0.0439 (11)0.0120 (9)0.0152 (9)0.0212 (10)
O20.0362 (10)0.0302 (10)0.0521 (11)0.0110 (8)0.0116 (9)0.0120 (9)
O30.0373 (13)0.0405 (12)0.0923 (18)0.0074 (10)−0.0081 (12)0.0162 (12)
O40.0465 (12)0.0508 (12)0.0424 (11)0.0008 (10)0.0138 (10)0.0106 (9)
O50.0364 (11)0.0573 (12)0.0421 (11)0.0165 (9)0.0117 (9)0.0214 (10)
O60.0363 (12)0.0677 (14)0.0507 (13)0.0010 (10)0.0174 (10)−0.0016 (11)
Geometric parameters (Å, °) top
La1—O22.4561 (18)C26—C271.335 (5)
La1—O52.4574 (19)C26—H26A0.9300
La1—O12.4974 (18)C27—C281.419 (5)
La1—O62.522 (2)C27—H27A0.9300
La1—O42.535 (2)C28—C291.350 (5)
La1—O2i2.6750 (19)C28—H28A0.9300
La1—O3i2.687 (2)C29—C301.429 (4)
La1—N12.730 (2)C29—H29A0.9300
La1—N22.741 (2)C31—O5i1.254 (3)
La1—C162.886 (3)C31—O11.270 (3)
La1—C1i3.064 (3)C31—C321.512 (4)
La1—La1i4.0880 (4)C32—C451.411 (4)
C1—O31.238 (3)C32—C331.416 (4)
C1—O21.268 (3)C33—C341.426 (4)
C1—C21.508 (4)C33—C381.439 (4)
C1—La1i3.064 (3)C34—C351.360 (4)
C2—C151.400 (4)C34—H34A0.9300
C2—C31.406 (4)C35—C361.413 (5)
C3—C41.421 (5)C35—H35A0.9300
C3—C81.435 (4)C36—C371.334 (5)
C4—C51.358 (5)C36—H36A0.9300
C4—H4A0.9300C37—C381.423 (5)
C5—C61.411 (7)C37—H37A0.9300
C5—H5A0.9300C38—C391.388 (5)
C6—C71.339 (6)C39—C401.383 (5)
C6—H6A0.9300C39—H39A0.9300
C7—C81.430 (5)C40—C411.432 (5)
C7—H7A0.9300C40—C451.433 (4)
C8—C91.382 (5)C41—C421.350 (6)
C9—C101.392 (5)C41—H41A0.9300
C9—H9A0.9300C42—C431.389 (6)
C10—C111.423 (5)C42—H42A0.9300
C10—C151.434 (4)C43—C441.358 (5)
C11—C121.345 (6)C43—H43A0.9300
C11—H11A0.9300C44—C451.432 (4)
C12—C131.406 (6)C44—H44A0.9300
C12—H12A0.9300C46—N21.334 (4)
C13—C141.352 (5)C46—C471.378 (5)
C13—H13A0.9300C46—H46A0.9300
C14—C151.419 (4)C47—C481.355 (5)
C14—H14A0.9300C47—H47A0.9300
C16—O61.240 (3)C48—C491.371 (5)
C16—O41.267 (3)C48—H48A0.9300
C16—C171.510 (4)C49—C501.386 (4)
C17—C181.403 (4)C49—H49A0.9300
C17—C301.403 (4)C50—N21.350 (4)
C18—C191.414 (5)C50—C511.481 (4)
C18—C231.436 (4)C51—N11.341 (4)
C19—C201.355 (5)C51—C521.391 (5)
C19—H19A0.9300C52—C531.366 (6)
C20—C211.403 (6)C52—H52A0.9300
C20—H20A0.9300C53—C541.353 (6)
C21—C221.333 (6)C53—H53A0.9300
C21—H21A0.9300C54—C551.376 (5)
C22—C231.424 (5)C54—H54A0.9300
C22—H22A0.9300C55—N11.336 (4)
C23—C241.375 (5)C55—H55A0.9300
C24—C251.405 (4)O2—La1i2.6750 (19)
C24—H24A0.9300O3—La1i2.687 (2)
C25—C261.418 (4)O5—C31i1.254 (3)
C25—C301.433 (4)
O2—La1—O573.16 (7)C20—C19—C18121.2 (3)
O2—La1—O173.15 (6)C20—C19—H19A119.4
O5—La1—O1135.97 (6)C18—C19—H19A119.4
O2—La1—O6151.98 (7)C19—C20—C21120.6 (4)
O5—La1—O690.68 (7)C19—C20—H20A119.7
O1—La1—O6130.65 (7)C21—C20—H20A119.7
O2—La1—O4151.37 (7)C22—C21—C20120.7 (4)
O5—La1—O4135.00 (7)C22—C21—H21A119.7
O1—La1—O479.76 (6)C20—C21—H21A119.7
O6—La1—O451.39 (7)C21—C22—C23121.4 (4)
O2—La1—O2i74.44 (6)C21—C22—H22A119.3
O5—La1—O2i71.53 (6)C23—C22—H22A119.3
O1—La1—O2i72.74 (6)C24—C23—C22122.3 (3)
O6—La1—O2i122.70 (7)C24—C23—C18119.4 (3)
O4—La1—O2i106.39 (7)C22—C23—C18118.2 (3)
O2—La1—O3i121.09 (6)C23—C24—C25122.2 (3)
O5—La1—O3i77.60 (8)C23—C24—H24A118.9
O1—La1—O3i96.65 (8)C25—C24—H24A118.9
O6—La1—O3i75.51 (8)C24—C25—C26122.1 (3)
O4—La1—O3i70.62 (7)C24—C25—C30119.0 (3)
O2i—La1—O3i47.91 (6)C26—C25—C30118.9 (3)
O2—La1—N191.57 (7)C27—C26—C25120.8 (3)
O5—La1—N1134.60 (7)C27—C26—H26A119.6
O1—La1—N173.52 (7)C25—C26—H26A119.6
O6—La1—N183.64 (8)C26—C27—C28121.0 (3)
O4—La1—N171.68 (7)C26—C27—H27A119.5
O2i—La1—N1145.95 (7)C28—C27—H27A119.5
O3i—La1—N1142.16 (7)C29—C28—C27120.7 (3)
O2—La1—N278.12 (7)C29—C28—H28A119.7
O5—La1—N275.60 (7)C27—C28—H28A119.7
O1—La1—N2123.19 (7)C28—C29—C30120.3 (3)
O6—La1—N275.71 (7)C28—C29—H29A119.8
O4—La1—N2110.34 (7)C30—C29—H29A119.8
O2i—La1—N2141.93 (7)C17—C30—C29122.9 (3)
O3i—La1—N2140.02 (8)C17—C30—C25118.8 (3)
N1—La1—N259.30 (7)C29—C30—C25118.3 (3)
O2—La1—C16167.67 (7)O5i—C31—O1124.4 (3)
O5—La1—C16113.22 (8)O5i—C31—C32117.3 (2)
O1—La1—C16105.56 (7)O1—C31—C32118.3 (2)
O6—La1—C1625.37 (7)C45—C32—C33120.7 (3)
O4—La1—C1626.01 (7)C45—C32—C31119.4 (3)
O2i—La1—C16117.24 (7)C33—C32—C31119.9 (2)
O3i—La1—C1671.17 (7)C32—C33—C34124.3 (3)
N1—La1—C1676.45 (8)C32—C33—C38119.1 (3)
N2—La1—C1693.00 (8)C34—C33—C38116.6 (3)
O2—La1—C1i98.51 (7)C35—C34—C33121.4 (3)
O5—La1—C1i74.95 (7)C35—C34—H34A119.3
O1—La1—C1i82.90 (7)C33—C34—H34A119.3
O6—La1—C1i99.13 (8)C34—C35—C36121.4 (3)
O4—La1—C1i87.00 (8)C34—C35—H35A119.3
O2i—La1—C1i24.33 (6)C36—C35—H35A119.3
O3i—La1—C1i23.71 (7)C37—C36—C35119.1 (3)
N1—La1—C1i150.44 (7)C37—C36—H36A120.4
N2—La1—C1i150.03 (8)C35—C36—H36A120.4
C16—La1—C1i93.44 (8)C36—C37—C38122.3 (3)
O2—La1—La1i39.08 (4)C36—C37—H37A118.8
O5—La1—La1i67.58 (5)C38—C37—H37A118.8
O1—La1—La1i68.39 (4)C39—C38—C37121.7 (3)
O6—La1—La1i152.12 (6)C39—C38—C33119.2 (3)
O4—La1—La1i135.40 (5)C37—C38—C33119.1 (3)
O2i—La1—La1i35.37 (4)C40—C39—C38122.3 (3)
O3i—La1—La1i82.63 (4)C40—C39—H39A118.9
N1—La1—La1i123.96 (5)C38—C39—H39A118.9
N2—La1—La1i113.04 (5)C39—C40—C41120.3 (3)
C16—La1—La1i152.43 (6)C39—C40—C45119.7 (3)
C1i—La1—La1i59.52 (5)C41—C40—C45119.9 (3)
O3—C1—O2120.6 (3)C42—C41—C40120.4 (4)
O3—C1—C2121.4 (2)C42—C41—H41A119.8
O2—C1—C2118.0 (2)C40—C41—H41A119.8
O3—C1—La1i60.80 (16)C41—C42—C43120.2 (4)
O2—C1—La1i60.37 (14)C41—C42—H42A119.9
C2—C1—La1i172.5 (2)C43—C42—H42A119.9
C15—C2—C3121.4 (3)C44—C43—C42121.9 (4)
C15—C2—C1119.7 (3)C44—C43—H43A119.1
C3—C2—C1119.0 (3)C42—C43—H43A119.1
C2—C3—C4122.8 (3)C43—C44—C45121.1 (3)
C2—C3—C8118.6 (3)C43—C44—H44A119.5
C4—C3—C8118.6 (3)C45—C44—H44A119.5
C5—C4—C3121.1 (4)C32—C45—C44124.5 (3)
C5—C4—H4A119.4C32—C45—C40119.0 (3)
C3—C4—H4A119.4C44—C45—C40116.5 (3)
C4—C5—C6120.0 (4)N2—C46—C47123.7 (3)
C4—C5—H5A120.0N2—C46—H46A118.2
C6—C5—H5A120.0C47—C46—H46A118.2
C7—C6—C5121.2 (4)C48—C47—C46118.6 (3)
C7—C6—H6A119.4C48—C47—H47A120.7
C5—C6—H6A119.4C46—C47—H47A120.7
C6—C7—C8121.2 (4)C47—C48—C49119.2 (3)
C6—C7—H7A119.4C47—C48—H48A120.4
C8—C7—H7A119.4C49—C48—H48A120.4
C9—C8—C7122.7 (3)C48—C49—C50119.8 (4)
C9—C8—C3119.5 (3)C48—C49—H49A120.1
C7—C8—C3117.9 (3)C50—C49—H49A120.1
C8—C9—C10122.5 (3)N2—C50—C49121.2 (3)
C8—C9—H9A118.8N2—C50—C51117.1 (3)
C10—C9—H9A118.8C49—C50—C51121.7 (3)
C9—C10—C11122.6 (3)N1—C51—C52120.4 (3)
C9—C10—C15118.6 (3)N1—C51—C50117.1 (3)
C11—C10—C15118.8 (3)C52—C51—C50122.5 (3)
C12—C11—C10121.2 (4)C53—C52—C51119.9 (4)
C12—C11—H11A119.4C53—C52—H52A120.1
C10—C11—H11A119.4C51—C52—H52A120.1
C11—C12—C13120.2 (4)C54—C53—C52119.7 (4)
C11—C12—H12A119.9C54—C53—H53A120.2
C13—C12—H12A119.9C52—C53—H53A120.2
C14—C13—C12120.9 (4)C53—C54—C55118.3 (4)
C14—C13—H13A119.6C53—C54—H54A120.8
C12—C13—H13A119.6C55—C54—H54A120.8
C13—C14—C15121.4 (3)N1—C55—C54123.2 (3)
C13—C14—H14A119.3N1—C55—H55A118.4
C15—C14—H14A119.3C54—C55—H55A118.4
C2—C15—C14123.0 (3)C55—N1—C51118.5 (3)
C2—C15—C10119.4 (3)C55—N1—La1117.7 (2)
C14—C15—C10117.6 (3)C51—N1—La1123.5 (2)
O6—C16—O4122.0 (2)C46—N2—C50117.5 (3)
O6—C16—C17120.7 (3)C46—N2—La1119.7 (2)
O4—C16—C17117.3 (3)C50—N2—La1122.81 (19)
O6—C16—La160.64 (14)C31—O1—La1137.62 (17)
O4—C16—La161.34 (14)C1—O2—La1157.44 (19)
C17—C16—La1178.3 (2)C1—O2—La1i95.30 (17)
C18—C17—C30121.5 (3)La1—O2—La1i105.56 (6)
C18—C17—C16118.8 (3)C1—O3—La1i95.49 (17)
C30—C17—C16119.5 (3)C16—O4—La192.64 (16)
C17—C18—C19123.1 (3)C31i—O5—La1141.40 (18)
C17—C18—C23118.9 (3)C16—O6—La193.99 (16)
C19—C18—C23118.0 (3)
O3—C1—C2—C15−92.3 (4)C49—C50—C51—N1−176.9 (3)
O2—C1—C2—C1587.7 (3)N2—C50—C51—C52−175.9 (3)
O3—C1—C2—C388.3 (4)C49—C50—C51—C524.0 (5)
O2—C1—C2—C3−91.8 (3)N1—C51—C52—C53−0.5 (6)
C15—C2—C3—C4−178.7 (3)C50—C51—C52—C53178.5 (4)
C1—C2—C3—C40.8 (4)C51—C52—C53—C540.7 (7)
C15—C2—C3—C80.4 (4)C52—C53—C54—C55−0.6 (7)
C1—C2—C3—C8179.9 (3)C53—C54—C55—N10.1 (6)
C2—C3—C4—C5178.7 (3)C54—C55—N1—C510.1 (5)
C8—C3—C4—C5−0.4 (5)C54—C55—N1—La1−173.1 (3)
C3—C4—C5—C60.8 (6)C52—C51—N1—C550.1 (5)
C4—C5—C6—C7−0.3 (7)C50—C51—N1—C55−179.0 (3)
C5—C6—C7—C8−0.6 (7)C52—C51—N1—La1172.9 (3)
C6—C7—C8—C9−179.2 (4)C50—C51—N1—La1−6.2 (4)
C6—C7—C8—C30.9 (6)O2—La1—N1—C55−107.2 (2)
C2—C3—C8—C90.5 (4)O5—La1—N1—C55−174.87 (19)
C4—C3—C8—C9179.7 (3)O1—La1—N1—C55−35.3 (2)
C2—C3—C8—C7−179.6 (3)O6—La1—N1—C55100.5 (2)
C4—C3—C8—C7−0.5 (4)O4—La1—N1—C5549.1 (2)
C7—C8—C9—C10179.3 (3)O2i—La1—N1—C55−43.2 (3)
C3—C8—C9—C10−0.9 (5)O3i—La1—N1—C5544.1 (3)
C8—C9—C10—C11178.5 (3)N2—La1—N1—C55177.6 (2)
C8—C9—C10—C150.2 (5)C16—La1—N1—C5575.7 (2)
C9—C10—C11—C12−179.6 (3)C1i—La1—N1—C553.2 (3)
C15—C10—C11—C12−1.3 (5)La1i—La1—N1—C55−83.8 (2)
C10—C11—C12—C13−0.2 (6)O2—La1—N1—C5179.9 (2)
C11—C12—C13—C141.2 (6)O5—La1—N1—C5112.2 (3)
C12—C13—C14—C15−0.6 (5)O1—La1—N1—C51151.8 (2)
C3—C2—C15—C14179.6 (3)O6—La1—N1—C51−72.4 (2)
C1—C2—C15—C140.1 (4)O4—La1—N1—C51−123.8 (2)
C3—C2—C15—C10−1.1 (4)O2i—La1—N1—C51143.9 (2)
C1—C2—C15—C10179.5 (2)O3i—La1—N1—C51−128.8 (2)
C13—C14—C15—C2178.5 (3)N2—La1—N1—C514.7 (2)
C13—C14—C15—C10−0.8 (4)C16—La1—N1—C51−97.2 (2)
C9—C10—C15—C20.8 (4)C1i—La1—N1—C51−169.7 (2)
C11—C10—C15—C2−177.6 (3)La1i—La1—N1—C51103.3 (2)
C9—C10—C15—C14−179.9 (3)C47—C46—N2—C50−0.3 (5)
C11—C10—C15—C141.8 (4)C47—C46—N2—La1179.0 (3)
O2—La1—C16—O690.1 (4)C49—C50—N2—C460.5 (4)
O5—La1—C16—O6−29.0 (2)C51—C50—N2—C46−179.6 (3)
O1—La1—C16—O6172.30 (19)C49—C50—N2—La1−178.8 (2)
O4—La1—C16—O6179.9 (3)C51—C50—N2—La11.1 (3)
O2i—La1—C16—O6−109.4 (2)O2—La1—N2—C4678.9 (2)
O3i—La1—C16—O6−95.9 (2)O5—La1—N2—C463.4 (2)
N1—La1—C16—O6104.0 (2)O1—La1—N2—C46139.4 (2)
N2—La1—C16—O646.6 (2)O6—La1—N2—C46−91.0 (2)
C1i—La1—C16—O6−104.1 (2)O4—La1—N2—C46−129.7 (2)
La1i—La1—C16—O6−114.7 (2)O2i—La1—N2—C4634.3 (3)
O2—La1—C16—O4−89.8 (4)O3i—La1—N2—C46−45.9 (3)
O5—La1—C16—O4151.05 (17)N1—La1—N2—C46177.9 (2)
O1—La1—C16—O4−7.62 (19)C16—La1—N2—C46−109.8 (2)
O6—La1—C16—O4−179.9 (3)C1i—La1—N2—C46−7.6 (3)
O2i—La1—C16—O470.66 (19)La1i—La1—N2—C4661.0 (2)
O3i—La1—C16—O484.21 (18)O2—La1—N2—C50−101.9 (2)
N1—La1—C16—O4−75.91 (18)O5—La1—N2—C50−177.3 (2)
N2—La1—C16—O4−133.33 (18)O1—La1—N2—C50−41.3 (2)
C1i—La1—C16—O475.96 (18)O6—La1—N2—C5088.2 (2)
La1i—La1—C16—O465.3 (2)O4—La1—N2—C5049.6 (2)
O6—C16—C17—C18−84.6 (4)O2i—La1—N2—C50−146.37 (19)
O4—C16—C17—C1894.2 (3)O3i—La1—N2—C50133.4 (2)
O6—C16—C17—C3099.8 (4)N1—La1—N2—C50−2.8 (2)
O4—C16—C17—C30−81.4 (4)C16—La1—N2—C5069.5 (2)
C30—C17—C18—C19−177.4 (3)C1i—La1—N2—C50171.70 (19)
C16—C17—C18—C197.1 (5)La1i—La1—N2—C50−119.8 (2)
C30—C17—C18—C233.7 (4)O5i—C31—O1—La1−10.6 (5)
C16—C17—C18—C23−171.8 (3)C32—C31—O1—La1168.53 (18)
C17—C18—C19—C20−179.6 (4)O2—La1—O1—C31−35.7 (3)
C23—C18—C19—C20−0.7 (6)O5—La1—O1—C315.8 (3)
C18—C19—C20—C211.4 (7)O6—La1—O1—C31161.4 (3)
C19—C20—C21—C22−1.2 (8)O4—La1—O1—C31153.7 (3)
C20—C21—C22—C230.2 (7)O2i—La1—O1—C3142.8 (3)
C21—C22—C23—C24179.6 (4)O3i—La1—O1—C3184.8 (3)
C21—C22—C23—C180.5 (6)N1—La1—O1—C31−132.6 (3)
C17—C18—C23—C24−0.4 (5)N2—La1—O1—C31−98.6 (3)
C19—C18—C23—C24−179.4 (3)C16—La1—O1—C31157.1 (3)
C17—C18—C23—C22178.7 (3)C1i—La1—O1—C3165.4 (3)
C19—C18—C23—C22−0.3 (5)La1i—La1—O1—C315.5 (3)
C22—C23—C24—C25178.2 (3)O3—C1—O2—La1149.3 (4)
C18—C23—C24—C25−2.7 (5)C2—C1—O2—La1−30.6 (6)
C23—C24—C25—C26−179.3 (3)La1i—C1—O2—La1157.7 (5)
C23—C24—C25—C302.6 (4)O3—C1—O2—La1i−8.4 (3)
C24—C25—C26—C27−179.1 (3)C2—C1—O2—La1i171.7 (2)
C30—C25—C26—C27−1.0 (5)O5—La1—O2—C1128.1 (5)
C25—C26—C27—C28−0.8 (6)O1—La1—O2—C1−80.7 (5)
C26—C27—C28—C292.1 (6)O6—La1—O2—C171.0 (5)
C27—C28—C29—C30−1.4 (5)O4—La1—O2—C1−61.1 (5)
C18—C17—C30—C29177.2 (3)O2i—La1—O2—C1−156.9 (5)
C16—C17—C30—C29−7.4 (4)O3i—La1—O2—C1−168.3 (5)
C18—C17—C30—C25−3.8 (4)N1—La1—O2—C1−8.4 (5)
C16—C17—C30—C25171.7 (3)N2—La1—O2—C149.7 (5)
C28—C29—C30—C17178.7 (3)C16—La1—O2—C15.1 (7)
C28—C29—C30—C25−0.4 (5)C1i—La1—O2—C1−160.5 (4)
C24—C25—C30—C170.6 (4)La1i—La1—O2—C1−156.9 (5)
C26—C25—C30—C17−177.5 (3)O5—La1—O2—La1i−74.97 (7)
C24—C25—C30—C29179.7 (3)O1—La1—O2—La1i76.26 (7)
C26—C25—C30—C291.6 (4)O6—La1—O2—La1i−132.12 (15)
O5i—C31—C32—C4542.2 (4)O4—La1—O2—La1i95.82 (15)
O1—C31—C32—C45−137.0 (3)O2i—La1—O2—La1i0.0
O5i—C31—C32—C33−138.0 (3)O3i—La1—O2—La1i−11.37 (11)
O1—C31—C32—C3342.8 (4)N1—La1—O2—La1i148.51 (8)
C45—C32—C33—C34−179.2 (3)N2—La1—O2—La1i−153.33 (9)
C31—C32—C33—C340.9 (4)C16—La1—O2—La1i162.1 (3)
C45—C32—C33—C38−0.4 (4)C1i—La1—O2—La1i−3.61 (8)
C31—C32—C33—C38179.8 (3)O2—C1—O3—La1i8.3 (3)
C32—C33—C34—C35−179.5 (3)C2—C1—O3—La1i−171.7 (2)
C38—C33—C34—C351.6 (5)O6—C16—O4—La1−0.1 (3)
C33—C34—C35—C360.4 (5)C17—C16—O4—La1−178.8 (2)
C34—C35—C36—C37−1.6 (5)O2—La1—O4—C16153.53 (17)
C35—C36—C37—C380.8 (6)O5—La1—O4—C16−39.0 (2)
C36—C37—C38—C39179.4 (3)O1—La1—O4—C16172.54 (19)
C36—C37—C38—C331.3 (5)O6—La1—O4—C160.04 (17)
C32—C33—C38—C390.5 (4)O2i—La1—O4—C16−119.02 (18)
C34—C33—C38—C39179.4 (3)O3i—La1—O4—C16−86.61 (18)
C32—C33—C38—C37178.6 (3)N1—La1—O4—C1696.65 (18)
C34—C33—C38—C37−2.4 (4)N2—La1—O4—C1650.78 (19)
C37—C38—C39—C40−178.0 (3)C1i—La1—O4—C16−104.14 (18)
C33—C38—C39—C400.1 (5)La1i—La1—O4—C16−143.20 (15)
C38—C39—C40—C41178.9 (3)O2—La1—O5—C31i46.3 (3)
C38—C39—C40—C45−0.8 (5)O1—La1—O5—C31i4.8 (3)
C39—C40—C41—C42−179.4 (4)O6—La1—O5—C31i−156.9 (3)
C45—C40—C41—C420.3 (6)O4—La1—O5—C31i−127.5 (3)
C40—C41—C42—C430.5 (7)O2i—La1—O5—C31i−32.5 (3)
C41—C42—C43—C44−0.6 (7)O3i—La1—O5—C31i−81.9 (3)
C42—C43—C44—C450.0 (6)N1—La1—O5—C31i121.3 (3)
C33—C32—C45—C44−178.0 (3)N2—La1—O5—C31i128.0 (3)
C31—C32—C45—C441.8 (4)C16—La1—O5—C31i−144.9 (3)
C33—C32—C45—C40−0.2 (4)C1i—La1—O5—C31i−57.7 (3)
C31—C32—C45—C40179.6 (3)La1i—La1—O5—C31i5.1 (3)
C43—C44—C45—C32178.6 (3)O4—C16—O6—La10.1 (3)
C43—C44—C45—C400.8 (5)C17—C16—O6—La1178.8 (2)
C39—C40—C45—C320.8 (5)O2—La1—O6—C16−152.95 (17)
C41—C40—C45—C32−178.9 (3)O5—La1—O6—C16153.5 (2)
C39—C40—C45—C44178.8 (3)O1—La1—O6—C16−9.8 (2)
C41—C40—C45—C44−0.9 (5)O4—La1—O6—C16−0.04 (17)
N2—C46—C47—C48−0.7 (5)O2i—La1—O6—C1685.2 (2)
C46—C47—C48—C491.5 (6)O3i—La1—O6—C1676.5 (2)
C47—C48—C49—C50−1.4 (6)N1—La1—O6—C16−71.6 (2)
C48—C49—C50—N20.3 (5)N2—La1—O6—C16−131.5 (2)
C48—C49—C50—C51−179.6 (3)C1i—La1—O6—C1678.7 (2)
N2—C50—C51—N13.2 (4)La1i—La1—O6—C16115.99 (18)
Symmetry codes: (i) −x+1, −y+1, −z+1.
Table 1
Selected geometric parameters (Å, °) top
La1—O22.4561 (18)La1—O2i2.6750 (19)
La1—O52.4574 (19)La1—O3i2.687 (2)
La1—O12.4974 (18)La1—N12.730 (2)
La1—O62.522 (2)La1—N22.741 (2)
La1—O42.535 (2)
O2—La1—O573.16 (7)O6—La1—O3i75.51 (8)
O2—La1—O173.15 (6)O4—La1—O3i70.62 (7)
O5—La1—O1135.97 (6)O2i—La1—O3i47.91 (6)
O2—La1—O6151.98 (7)O2—La1—N191.57 (7)
O5—La1—O690.68 (7)O5—La1—N1134.60 (7)
O1—La1—O6130.65 (7)O1—La1—N173.52 (7)
O2—La1—O4151.37 (7)O6—La1—N183.64 (8)
O5—La1—O4135.00 (7)O4—La1—N171.68 (7)
O1—La1—O479.76 (6)O2i—La1—N1145.95 (7)
O6—La1—O451.39 (7)O3i—La1—N1142.16 (7)
O2—La1—O2i74.44 (6)O2—La1—N278.12 (7)
O5—La1—O2i71.53 (6)O5—La1—N275.60 (7)
O1—La1—O2i72.74 (6)O1—La1—N2123.19 (7)
O6—La1—O2i122.70 (7)O6—La1—N275.71 (7)
O4—La1—O2i106.39 (7)O4—La1—N2110.34 (7)
O2—La1—O3i121.09 (6)O2i—La1—N2141.93 (7)
O5—La1—O3i77.60 (8)O3i—La1—N2140.02 (8)
O1—La1—O3i96.65 (8)N1—La1—N259.30 (7)
Symmetry codes: (i) −x+1, −y+1, −z+1.
Acknowledgements top

This work was supported by the Startup Fund for PhDs in Natural Scientific Research of Zhengzhou University of Light Industry (grant No. 2008 to CSL). The authors also gratefully thank Nankai University and Henan Provincial Key Laboratory of Surface and Interface Science for supporting this research.

references
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