A photochromic dinuclear compound: aqua­tetra­kis­([mu]-2,3-di­phenyl­prop-2-en­oato)bis­(2,3-di­phenyl­prop-2-enoato)ethanol­bis(1,10-phenanthroline)dilanthanum(III)

The title dinuclear complex, (aqua-1[kappa]O)tetra­kis­([mu]-2,3-diphenyl­prop-2-enoato-1:2[kappa]²O:O')bis­(2,3-diphenyl­prop-2-enoato)-1[kappa]O;2[kappa]O-(ethanol-2[kappa]O)bis­(1,10-phenanthroline)-1[kappa]²N,N';2[kappa]²N,N'-dilanthanum(III), [La₂(C₁₅H₁₁O₂)₆(C₁₂H₈N₂)₂(C₂H₅OH)(H₂O)], contains two similar La^III centres with distorted [LaO₆N₂] bicapped triganol-prismatic coordination polyhedra formed by six phenyl­cinnamate (PCA^- or 2,3-diphenyl­prop-2-enoate) ligands, two 1,10-phenanthroline (phen) ligands, a coordinating ethanol mol­ecule and a coordinating water mol­ecule. The two metal centres are bridged by four [mu]-PCA^- ligands, with the remaining two PCA^- ligands coordinated in a monodentate fashion. The noncoordinated carboxyl­ate O atoms on the terminal PCA^- ligands form O-H...O hydrogen bonds with the coordinated solvent mol­ecules. Each La centre is also coordinated by a bidentate phen ligand. The PCA^- ligands all adopt syn-syn orientations, with the two phenyl rings presenting dihedral angles of about 70°. The compound displays photochromic behaviour both in solution and in the solid state.

S1. Comment

Photochromism, a photoinduced reversible transformation between two chemical forms having different absorption spectra, i.e. different colours, is both of great basic interest and of high application potential (Dürr & Bouas-Laurent, 2003). Among all the photochromic families, diarylethenes are some of the most efficient compounds used for photoswitching applications because of their thermal irreversibility, high fatigue resistance, and good photoconversion yield between an open form and a closed form (Irie, 2002). For these reasons, numerous recent advances focused on diarylethene photochemistry have been reported (Tsuboi et al., 2009). Organic–inorganic hybrids based on diarylethene moieties have attracted particular interest for their varied structures, novel photophysical and/or photochemical phenomena and fascinating properties (Wenger et al., 2004; Busby et al., 2005; Yam et al., 2004; Ko et al., 2006).

In our recent work, we have become interested in preparing self-assembled organic–inorganic hybrid materials by dint of either coordinate bonds or coulomb interactions based on organic templates (Chai et al., 2007a,b, 2009, 2010). With the aim of constructing organic–inorganic hybrids in the field of coordinate chemistry, the carboxylate ligands are versatile candidates which can adopt several chelating bidentate and/or different carboxylate-bridging coordinate modes. Additionally, a carboxylate group in a bridging mode provides an efficient pathway that couples magnetic or luminescent metal centres for ferromagnetic interaction or energy transfer (Oldham et al., 1987; Faulkner & Pope, 2003). Phenylcinnamic acid (PCA) is a monocarboxylic acid in which two arene rings are connected by π-conjugated ethylene, and the diarylethene unit could show typical photochromic transformation (see second scheme) (Dürr & Bouas-Laurent, 2003). Previously, Kumagai and co-workers synthesized and characterized some transition metal complexes using PCA^- as a ligand, but neither photochromic nor luminescent properties were reported (Kumagai et al., 2003, 2005; Oka & Inoue, 2004). In this study, we have focused on the construction of novel organic–inorganic complexes by utilizing PCA^- as a ligand and rare earth ions as metal centres, and the title novel photochromic dinuclear compound, (I), has been successfully synthesized. Considering the photochromism derived from the PCA^- ligand and the photoluminescence displayed by rare earth ions, this novel hybrid may be endowed with new functions, such as luminescence modulation by photochromic switching.

The structure of (I) has been characterized as a dinuclear cluster (Fig. 1), consisting of two La^III cations, six PCA^- anions, two 1,10-phenanthroline (phen) ligands, one ethanol molecule and one water molecule. Each crystallographically independent La^III cation adopts a distorted [LaO₆N₂] bicapped trigonal–prismatic coordination geometry, with one capping site occupied up by a coordinating solvent (ethanol or water) and the other occupied by half a phen ligand (Fig. 2). The La—O [2.398 (5)–2.620 (5) Å] and La—N [2.722 (7)–2.772 (7) Å] bond lengths are similar to previously reported values (Khanjani et al., 2010). The two La centres are connected by four bridging PCA^- ligands to form the dinuclear cluster. Each La coordination polyhedron is completed by one monodentate PCA^- ligand, one bidentate phen ligand and one coordinated solvent molecule (ethanol or water). Previous reports (Kumagai et al., 2003, 2005; Oka & Inoue, 2004) have described two coordination modes for the PCA^- ligand, bridged and tricoordinated. In the dinuclear metal–carboxylate cluster of (I), the tricoordinated mode means that one of the O atoms is coordinated to a single metal centre while the other is within coordinating distance of both metal centres. The terminal PCA^- ligands observed in (I) thus appear to be unprecedented in this type of complex. The configurations of the PCA^- ligands in the complex are almost the same. All six atoms in and around the C═C bonds are essentially coplanar, while the two phenyl rings are in a syn–syn mode with a dihedral angle of about 70°.

Previously, some dinuclear La cluster compounds have been synthesized from carboxylate and neutral ligands. Focusing on the structural features of the cluster core, there are two modes that have been observed to construct such clusters. In the first mode, also seen in a dinuclear Nd cluster we reported recently (Chai et al., 2009), two carboxylate groups bridge the La centres to form a dinuclear La₂ cluster (Li et al., 2007; Gao, 2009) and the remaining coordination sites are occupied by other anionic and neutral ligands. In the second mode, four carboxylate groups bridge the La centres to form a dinuclear unit, with two groups adopting a µ₂-bridged arrangement and the other two adopting a tricoordinated mode (Lu et al., 1996; Shi et al., 2001; Zheng & Jin, 2003; Lu et al., 2001; Fu et al., 2004; Zhu et al., 2005; Liu et al., 2008). Here, the structure of the cluster core is notably different from the reported examples. The difference may be due to the large size of the PCA^- ligand and the steric crowding it creates around the cluster core. Seen along the La1···La2 axis, this La₂(PCA)₄ unit looks like a windmill (Fig. 3). The two remaining PCA^- ligands adopt a mono-coordinated mode, with a phen ligand and a coordinating solvent molecule completing the remaining coordination sites on each side of the windmill-like unit. O—H···O hydrogen bonding links the noncoordinated carboxylate O atom of the monodentate PCA^- ligand to the solvent molecule coordinated to each La centre [O13···O1 = 2.600 (8) Å and O14···O12 = 2.653 (8) Å].

As the PCA^- ligand contains a feature of a potentially photochromic molecule (Dürr & Bouas-Laurent, 2003), the photochromism of (I) has been observed roughly. When a colourless ethanolic solution of (I) is irradiated with UV light for some minutes, a gradual colour change to yellow occurs (see second scheme). Similar behaviour is shown by a powder sample of (I), though the transformation is slower than that in solution. The corresponding Eu³⁺ and Tb³⁺ samples have also been synthesized due to their expected luminescent properties. Detailed analyses of their spectroscopic properties are ongoing.

Related literature

For related literature, see: Busby et al. (2005); Chai et al. (2007a, 2007b, 2009, 2010); Dürr & Bouas-Laurent (2003); Faulkner & Pope (2003); Fu et al. (2004); Gao (2009); Irie (2002); Khanjani et al. (2010); Ko et al. (2006); Kumagai et al. (2003, 2005); Li et al. (2007); Liu et al. (2008); Lu et al. (1996, 2001); Oka & Inoue (2004); Oldham et al. (1987); Sheldrick (2008); Shi et al. (2001); Tsuboi et al. (2009); Wenger et al. (2004); Yam et al. (2004); Zheng & Jin (2003); Zhu et al. (2005).

S2. Experimental

A mixture of La(NO₃)₃ (0.086 g, 0.2 mmol), PCA (0.137 mg, 0.6 mmol), phen (40 mg, 0.2 mmol), NaOH (0.240 g, 0.5 mol l^-1) and EtOH/H₂O (10 ml) was heated at 453 K for 50 h in a sealed 25 ml Teflon-lined stainless steel vessel under autogenous pressure. The reaction mixture was then cooled slowly to room temperature, whereupon colourless platelet single crystals of (I) were obtained in a yield of 55%. Spectroscopic analysis: IR (KBr, ν, cm^-1): 3609 (ms), 3427 (m), 3077 (m), 3055 (m), 3020 (m), 2925 (m), 1953 (w), 1885 (w), 1808 (w), 1757 (w), 1635 (s), 1587 (sh), 1543 (sh), 1517 (s), 1490 (s), 1394 (sh), 1349 (s), 846 (m), 709 (s), 693 (s), 630 (m).

S3. Refinement

All H atoms bonded to C atoms were added at calculated positions and refined using a riding model, with C—H = 0.93 Å and U_iso = 1.2U_eq(C). The O-bound H atoms of the coordinated water and ethanol molecules could not be located reliably from the difference Fourier map; they have therefore been omitted from the refinement model but are included in the chemical formula and in all values derived from it. The displacement parameters indicated the presence of disorder, but a split-site model combined with restraints to the ADPs did not improve the model. We therefore adopted a dynamic disorder model with extremely strong restraints applied to the ADPs (ISOR and SIMU parameters of 0.004 Ų; Sheldrick, 2008).

Computing details

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2004); 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).

Figures

	Fig. 1. The molecular structure and atom-labelling scheme of (I). Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. The two distorted [LaO6N2] bicapped trigonal–prismatic La coordination polyhedra. In both cases, the coordinated solvent (O13 and O14) and one N atom of the phen ligand (N2 and N3) are the capping atoms.
	Fig. 3. The windmill-like structure of the La2(PCA)4 cluster core unit.

(aqua-1κO)tetrakis(µ-2,3-diphenylprop-2-enoato- 1:2κ²O:O')bis(2,3-diphenylprop-2-enoato)- 1κO;2κO-(ethanol-2κO)bis(1,10-phenanthroline)- 1κ²N,N';2κ²N,N'-dilanthanum(III)

Crystal data

[La2(C15H11O2)6(C12H8N2)2(C2H6O)(H2O)]	Z = 2
Mr = 2041.74	F(000) = 2080
Triclinic, P1	Dx = 1.387 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71075 Å
a = 13.464 (3) Å	Cell parameters from 28884 reflections
b = 18.572 (4) Å	θ = 3.0–27.4°
c = 20.490 (4) Å	µ = 0.93 mm^−1
α = 77.42 (3)°	T = 293 K
β = 89.01 (3)°	Platelet, colourless
γ = 77.94 (3)°	0.38 × 0.27 × 0.10 mm
V = 4887.9 (17) Å^3

Data collection

Rigaku R-AXIS RAPID diffractometer	17208 independent reflections
Radiation source: fine-focus sealed tube	11202 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.056
Detector resolution: 14.6306 pixels mm^-1	θmax = 25.1°, θmin = 3.0°
CCD profile fitting scans	h = −16→16
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −22→22
Tmin = 0.719, Tmax = 0.913	l = −24→24
38229 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.059	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.169	H-atom parameters constrained
S = 1.16	w = 1/[σ^2(Fo^2) + (0.0596P)^2 + 10.5654P] where P = (Fo^2 + 2Fc^2)/3
17208 reflections	(Δ/σ)max < 0.001
1226 parameters	Δρmax = 1.36 e Å^−3
960 restraints	Δρmin = −1.22 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
La1	0.15946 (3)	0.21228 (2)	0.34758 (2)	0.03811 (13)
La2	0.24837 (3)	0.35778 (2)	0.166180 (19)	0.03835 (13)
O1	0.0838 (4)	0.2446 (3)	0.5297 (3)	0.0617 (15)
O2	0.2058 (4)	0.1939 (3)	0.4686 (2)	0.0562 (13)
O3	0.0134 (4)	0.2584 (3)	0.2662 (2)	0.0512 (12)
O4	0.0821 (4)	0.3291 (3)	0.1851 (3)	0.0563 (12)
O5	0.2029 (4)	0.1461 (3)	0.2536 (3)	0.0575 (13)
O6	0.2686 (5)	0.2222 (3)	0.1742 (3)	0.0648 (14)
O7	0.1794 (4)	0.3427 (3)	0.3172 (3)	0.0509 (12)
O8	0.2111 (4)	0.4440 (3)	0.2482 (2)	0.0522 (12)
O9	0.3405 (4)	0.2120 (3)	0.3381 (2)	0.0459 (11)
O10	0.3801 (4)	0.2992 (3)	0.2546 (2)	0.0503 (12)
O11	0.2259 (4)	0.3603 (3)	0.0498 (3)	0.0615 (14)
O12	0.1099 (6)	0.4532 (4)	−0.0088 (3)	0.093 (2)
O13	0.0121 (4)	0.2778 (3)	0.4081 (3)	0.0657 (15)
O14	0.1177 (4)	0.4814 (3)	0.1120 (2)	0.0539 (14)
N1	0.0371 (6)	0.1111 (4)	0.3809 (3)	0.0586 (14)
N2	0.2423 (5)	0.0635 (4)	0.3986 (3)	0.0546 (13)
N3	0.4358 (5)	0.3203 (4)	0.1101 (3)	0.0610 (15)
N4	0.3683 (6)	0.4611 (4)	0.1308 (3)	0.0591 (14)
C1	0.1666 (7)	0.2023 (4)	0.5235 (4)	0.0503 (14)
C2	0.2214 (6)	0.1551 (4)	0.5873 (4)	0.0509 (13)
C3	0.2959 (6)	0.0957 (5)	0.5841 (4)	0.0549 (15)
H3	0.3132	0.0897	0.5412	0.066*
C4	0.3537 (7)	0.0391 (5)	0.6384 (5)	0.0643 (15)
C5	0.3846 (7)	−0.0348 (5)	0.6281 (5)	0.0738 (18)
H5	0.3685	−0.0457	0.5879	0.089*
C6	0.4392 (8)	−0.0916 (6)	0.6784 (5)	0.0833 (19)
H6	0.4568	−0.1409	0.6727	0.100*
C7	0.4658 (8)	−0.0750 (6)	0.7338 (6)	0.087 (2)
H7	0.5053	−0.1133	0.7656	0.104*
C8	0.4390 (8)	−0.0055 (6)	0.7476 (6)	0.0840 (19)
H8	0.4574	0.0030	0.7884	0.101*
C9	0.3823 (7)	0.0538 (6)	0.6983 (5)	0.0746 (18)
H9	0.3643	0.1024	0.7059	0.090*
C10	0.1810 (7)	0.1738 (5)	0.6513 (4)	0.0562 (14)
C11	0.1177 (7)	0.1340 (5)	0.6895 (4)	0.0627 (16)
H11	0.0980	0.0951	0.6747	0.075*
C12	0.0822 (8)	0.1500 (5)	0.7493 (4)	0.0706 (17)
H12	0.0375	0.1231	0.7734	0.085*
C13	0.1124 (8)	0.2050 (5)	0.7731 (5)	0.0737 (17)
H13	0.0905	0.2147	0.8142	0.088*
C14	0.1755 (8)	0.2459 (6)	0.7360 (4)	0.0740 (17)
H14	0.1952	0.2843	0.7517	0.089*
C15	0.2106 (8)	0.2308 (5)	0.6750 (4)	0.0663 (16)
H15	0.2537	0.2588	0.6503	0.080*
C16	−0.0675 (8)	0.3395 (6)	0.3921 (5)	0.083 (2)
H16A	−0.0861	0.3478	0.3451	0.100*
H16B	−0.0449	0.3838	0.3986	0.100*
C17	−0.1571 (10)	0.3315 (8)	0.4315 (7)	0.122 (4)
H17A	−0.1637	0.2798	0.4406	0.183*
H17B	−0.2164	0.3630	0.4071	0.183*
H17C	−0.1503	0.3464	0.4730	0.183*
C18	0.0257 (6)	0.2838 (4)	0.2054 (4)	0.0488 (13)
C19	−0.0288 (6)	0.2559 (4)	0.1551 (4)	0.0475 (13)
C20	−0.0230 (6)	0.2862 (5)	0.0902 (4)	0.0533 (14)
H20	0.0132	0.3246	0.0812	0.064*
C21	−0.0641 (7)	0.2694 (5)	0.0307 (4)	0.0618 (15)
C22	−0.0753 (8)	0.3230 (6)	−0.0283 (4)	0.0735 (18)
H22	−0.0587	0.3694	−0.0291	0.088*
C23	−0.1109 (8)	0.3093 (6)	−0.0869 (5)	0.0816 (19)
H23	−0.1178	0.3464	−0.1262	0.098*
C24	−0.1355 (8)	0.2420 (6)	−0.0868 (5)	0.0818 (19)
H24	−0.1610	0.2334	−0.1256	0.098*
C25	−0.1228 (8)	0.1872 (6)	−0.0296 (4)	0.0771 (18)
H25	−0.1381	0.1408	−0.0301	0.093*
C26	−0.0872 (8)	0.1994 (5)	0.0298 (4)	0.0695 (17)
H26	−0.0789	0.1614	0.0685	0.083*
C27	−0.0845 (6)	0.1957 (4)	0.1818 (4)	0.0494 (13)
C28	−0.1904 (7)	0.2098 (5)	0.1811 (4)	0.0605 (16)
H28	−0.2271	0.2589	0.1662	0.073*
C29	−0.2416 (7)	0.1523 (5)	0.2022 (4)	0.0691 (17)
H29	−0.3123	0.1630	0.2010	0.083*
C30	−0.1896 (7)	0.0798 (5)	0.2248 (4)	0.0679 (17)
H30	−0.2246	0.0411	0.2383	0.082*
C31	−0.0843 (7)	0.0641 (5)	0.2274 (4)	0.0650 (16)
H31	−0.0483	0.0150	0.2432	0.078*
C32	−0.0332 (7)	0.1220 (5)	0.2065 (4)	0.0562 (15)
H32	0.0375	0.1112	0.2089	0.067*
C33	0.2390 (7)	0.1621 (5)	0.1972 (4)	0.0580 (14)
C34	0.2484 (7)	0.1058 (5)	0.1531 (4)	0.0624 (14)
C35	0.2577 (8)	0.1303 (6)	0.0876 (5)	0.0790 (18)
H35	0.2520	0.1820	0.0730	0.095*
C36	0.2756 (10)	0.0861 (7)	0.0355 (6)	0.0988 (19)
C37	0.2160 (11)	0.1127 (8)	−0.0235 (7)	0.117 (2)
H37	0.1676	0.1576	−0.0305	0.140*
C38	0.2331 (12)	0.0672 (8)	−0.0731 (7)	0.129 (2)
H38	0.1923	0.0813	−0.1119	0.154*
C39	0.3074 (12)	0.0044 (8)	−0.0640 (8)	0.129 (2)
H39	0.3220	−0.0204	−0.0989	0.155*
C40	0.3624 (11)	−0.0242 (8)	−0.0046 (7)	0.122 (2)
H40	0.4077	−0.0706	0.0033	0.146*
C41	0.3464 (10)	0.0208 (7)	0.0437 (6)	0.109 (2)
H41	0.3862	0.0049	0.0829	0.130*
C42	0.2420 (8)	0.0275 (5)	0.1841 (5)	0.0658 (15)
C43	0.1753 (8)	−0.0082 (5)	0.1570 (5)	0.0783 (18)
H43	0.1328	0.0176	0.1204	0.094*
C44	0.1743 (9)	−0.0842 (6)	0.1867 (6)	0.091 (2)
H44	0.1334	−0.1098	0.1683	0.109*
C45	0.2308 (9)	−0.1182 (7)	0.2399 (6)	0.094 (2)
H45	0.2257	−0.1675	0.2591	0.113*
C46	0.2968 (9)	−0.0881 (6)	0.2698 (6)	0.090 (2)
H46	0.3373	−0.1156	0.3069	0.108*
C47	0.2996 (8)	−0.0119 (5)	0.2405 (5)	0.0754 (18)
H47	0.3414	0.0121	0.2599	0.090*
C48	0.3873 (6)	0.2638 (4)	0.3140 (4)	0.0455 (12)
C49	0.4570 (6)	0.2851 (4)	0.3604 (4)	0.0479 (13)
C50	0.4491 (6)	0.2608 (4)	0.4263 (4)	0.0512 (14)
H50	0.4048	0.2281	0.4377	0.061*
C51	0.4972 (7)	0.2762 (5)	0.4842 (4)	0.0584 (14)
C52	0.4551 (8)	0.2549 (5)	0.5457 (4)	0.0684 (17)
H52	0.3992	0.2322	0.5482	0.082*
C53	0.4946 (8)	0.2665 (6)	0.6035 (5)	0.0784 (18)
H53	0.4646	0.2523	0.6442	0.094*
C54	0.5769 (8)	0.2986 (6)	0.6014 (5)	0.0794 (18)
H54	0.6034	0.3061	0.6403	0.095*
C55	0.6203 (8)	0.3196 (6)	0.5411 (5)	0.0760 (18)
H55	0.6766	0.3416	0.5391	0.091*
C56	0.5801 (7)	0.3082 (5)	0.4827 (4)	0.0665 (16)
H56	0.6103	0.3226	0.4422	0.080*
C57	0.5192 (7)	0.3395 (5)	0.3276 (4)	0.0577 (14)
C58	0.6075 (8)	0.3175 (6)	0.2966 (5)	0.0750 (17)
H58	0.6323	0.2666	0.2977	0.090*
C59	0.6613 (9)	0.3714 (6)	0.2629 (5)	0.0835 (19)
H59	0.7214	0.3563	0.2419	0.100*
C60	0.6250 (9)	0.4445 (6)	0.2616 (5)	0.0837 (19)
H60	0.6603	0.4798	0.2388	0.100*
C61	0.5421 (8)	0.4679 (6)	0.2912 (5)	0.0829 (19)
H61	0.5189	0.5191	0.2894	0.099*
C62	0.4876 (8)	0.4153 (5)	0.3258 (5)	0.0728 (17)
H62	0.4291	0.4320	0.3477	0.087*
C63	0.1950 (6)	0.4092 (4)	0.3058 (4)	0.0473 (12)
C64	0.1972 (6)	0.4479 (4)	0.3635 (4)	0.0466 (12)
C65	0.2124 (6)	0.4033 (4)	0.4255 (4)	0.0527 (14)
H65	0.2112	0.3527	0.4293	0.063*
C66	0.2309 (8)	0.4267 (5)	0.4882 (4)	0.0622 (15)
C67	0.1774 (8)	0.4047 (5)	0.5435 (4)	0.0724 (17)
H67	0.1295	0.3758	0.5411	0.087*
C68	0.1935 (9)	0.4248 (6)	0.6036 (5)	0.0825 (19)
H68	0.1530	0.4125	0.6398	0.099*
C69	0.2675 (9)	0.4622 (6)	0.6092 (5)	0.0856 (19)
H69	0.2797	0.4742	0.6497	0.103*
C70	0.3252 (9)	0.4826 (6)	0.5543 (5)	0.0837 (19)
H70	0.3773	0.5075	0.5579	0.100*
C71	0.3048 (8)	0.4655 (5)	0.4936 (5)	0.0744 (18)
H71	0.3419	0.4808	0.4563	0.089*
C72	0.1821 (6)	0.5310 (4)	0.3499 (4)	0.0480 (13)
C73	0.1060 (7)	0.5709 (4)	0.3821 (4)	0.0556 (15)
H73	0.0665	0.5449	0.4124	0.067*
C74	0.0873 (7)	0.6496 (5)	0.3700 (4)	0.0652 (17)
H74	0.0357	0.6759	0.3919	0.078*
C75	0.1453 (8)	0.6874 (5)	0.3259 (5)	0.0694 (17)
H75	0.1332	0.7397	0.3181	0.083*
C76	0.2211 (7)	0.6501 (5)	0.2928 (4)	0.0654 (16)
H76	0.2601	0.6767	0.2628	0.078*
C77	0.2393 (7)	0.5711 (4)	0.3048 (4)	0.0556 (15)
H77	0.2904	0.5453	0.2822	0.067*
C78	0.1803 (7)	0.3990 (5)	−0.0053 (4)	0.0564 (15)
C79	0.2168 (6)	0.3748 (5)	−0.0686 (4)	0.0510 (13)
C80	0.1580 (6)	0.4173 (5)	−0.1307 (4)	0.0511 (13)
C81	0.1543 (6)	0.4929 (5)	−0.1574 (4)	0.0564 (15)
H81	0.1886	0.5197	−0.1354	0.068*
C82	0.1005 (7)	0.5292 (5)	−0.2162 (4)	0.0645 (17)
H82	0.1003	0.5797	−0.2339	0.077*
C83	0.0481 (7)	0.4923 (6)	−0.2484 (4)	0.0679 (17)
H83	0.0130	0.5174	−0.2883	0.081*
C84	0.0461 (7)	0.4178 (5)	−0.2226 (4)	0.0652 (17)
H84	0.0078	0.3928	−0.2437	0.078*
C85	0.1024 (6)	0.3805 (5)	−0.1643 (4)	0.0585 (16)
H85	0.1029	0.3297	−0.1473	0.070*
C86	0.2981 (7)	0.3190 (5)	−0.0653 (4)	0.0570 (15)
H86	0.3206	0.2939	−0.0221	0.068*
C87	0.3584 (8)	0.2902 (5)	−0.1184 (4)	0.0707 (16)
C88	0.3617 (8)	0.3316 (6)	−0.1830 (4)	0.0733 (18)
H88	0.3182	0.3785	−0.1961	0.088*
C89	0.4283 (8)	0.3045 (6)	−0.2288 (5)	0.087 (2)
H89	0.4307	0.3337	−0.2716	0.104*
C90	0.4903 (9)	0.2348 (7)	−0.2105 (5)	0.100 (2)
H90	0.5331	0.2160	−0.2417	0.121*
C91	0.4905 (10)	0.1927 (7)	−0.1475 (5)	0.106 (2)
H91	0.5336	0.1454	−0.1353	0.128*
C92	0.4253 (9)	0.2213 (6)	−0.1013 (5)	0.095 (2)
H92	0.4268	0.1930	−0.0578	0.114*
C93	0.3346 (8)	0.5313 (5)	0.1406 (4)	0.0682 (17)
H93	0.2708	0.5432	0.1585	0.082*
C94	0.3931 (8)	0.5876 (6)	0.1247 (5)	0.0760 (18)
H94	0.3682	0.6359	0.1315	0.091*
C95	0.4848 (8)	0.5693 (6)	0.0998 (5)	0.0768 (18)
H95	0.5237	0.6060	0.0896	0.092*
C96	0.5242 (8)	0.4994 (6)	0.0886 (4)	0.0725 (16)
C97	0.6200 (8)	0.4778 (7)	0.0600 (5)	0.0801 (19)
H97	0.6616	0.5126	0.0494	0.096*
C98	0.6503 (8)	0.4114 (7)	0.0485 (5)	0.0831 (19)
H98	0.7127	0.4010	0.0286	0.100*
C99	0.5932 (7)	0.3512 (7)	0.0647 (5)	0.0761 (16)
C100	0.6213 (8)	0.2809 (7)	0.0526 (5)	0.0832 (19)
H100	0.6831	0.2676	0.0328	0.100*
C101	0.5623 (8)	0.2304 (7)	0.0685 (5)	0.0791 (19)
H101	0.5829	0.1822	0.0603	0.095*
C102	0.4681 (7)	0.2515 (6)	0.0979 (4)	0.0716 (18)
H102	0.4270	0.2163	0.1091	0.086*
C103	0.4972 (7)	0.3705 (6)	0.0932 (4)	0.0637 (15)
C104	0.4621 (7)	0.4439 (6)	0.1053 (4)	0.0627 (14)
C105	−0.0622 (7)	0.1338 (6)	0.3728 (4)	0.0662 (16)
H105	−0.0883	0.1849	0.3561	0.079*
C106	−0.1305 (8)	0.0863 (6)	0.3876 (4)	0.0698 (17)
H106	−0.2000	0.1054	0.3809	0.084*
C107	−0.0942 (8)	0.0122 (6)	0.4117 (4)	0.0688 (16)
H107	−0.1391	−0.0201	0.4233	0.083*
C108	0.0104 (8)	−0.0165 (5)	0.4196 (4)	0.0649 (14)
C109	0.0585 (8)	−0.0942 (5)	0.4423 (5)	0.0720 (17)
H109	0.0172	−0.1293	0.4521	0.086*
C110	0.1562 (8)	−0.1190 (5)	0.4500 (5)	0.0727 (17)
H110	0.1827	−0.1705	0.4642	0.087*
C111	0.2242 (8)	−0.0665 (5)	0.4366 (5)	0.0667 (15)
C112	0.3287 (8)	−0.0882 (5)	0.4460 (5)	0.0744 (18)
H112	0.3582	−0.1388	0.4619	0.089*
C113	0.3889 (8)	−0.0369 (5)	0.4324 (5)	0.0724 (18)
H113	0.4591	−0.0518	0.4385	0.087*
C114	0.3425 (7)	0.0387 (5)	0.4090 (4)	0.0636 (16)
H114	0.3837	0.0739	0.4002	0.076*
C115	0.1836 (7)	0.0105 (5)	0.4136 (4)	0.0563 (13)
C116	0.0757 (7)	0.0361 (5)	0.4041 (4)	0.0573 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0424 (3)	0.0410 (2)	0.0372 (2)	−0.01891 (19)	0.00661 (19)	−0.01270 (19)
La2	0.0498 (3)	0.0387 (2)	0.0324 (2)	−0.0191 (2)	0.00411 (19)	−0.01102 (18)
O1	0.062 (3)	0.072 (3)	0.048 (3)	−0.001 (3)	0.004 (3)	−0.019 (3)
O2	0.066 (3)	0.061 (3)	0.044 (3)	−0.016 (3)	0.009 (2)	−0.015 (2)
O3	0.054 (3)	0.056 (3)	0.046 (2)	−0.016 (2)	−0.002 (2)	−0.013 (2)
O4	0.050 (3)	0.066 (3)	0.062 (3)	−0.030 (2)	0.002 (2)	−0.016 (2)
O5	0.064 (3)	0.058 (3)	0.061 (3)	−0.019 (2)	0.005 (3)	−0.031 (2)
O6	0.078 (3)	0.047 (3)	0.077 (3)	−0.022 (3)	−0.005 (3)	−0.021 (3)
O7	0.060 (3)	0.043 (2)	0.059 (3)	−0.022 (2)	0.002 (2)	−0.021 (2)
O8	0.071 (3)	0.051 (3)	0.043 (2)	−0.023 (2)	0.005 (2)	−0.019 (2)
O9	0.043 (3)	0.051 (3)	0.049 (2)	−0.019 (2)	0.005 (2)	−0.013 (2)
O10	0.049 (3)	0.061 (3)	0.042 (2)	−0.021 (2)	−0.004 (2)	−0.007 (2)
O11	0.066 (3)	0.075 (3)	0.041 (3)	0.000 (3)	0.002 (2)	−0.020 (2)
O12	0.099 (5)	0.111 (5)	0.050 (3)	0.031 (4)	−0.001 (3)	−0.028 (3)
O13	0.057 (3)	0.079 (4)	0.057 (3)	0.004 (3)	0.008 (3)	−0.023 (3)
O14	0.069 (4)	0.046 (3)	0.044 (3)	−0.009 (3)	0.001 (3)	−0.008 (2)
N1	0.062 (3)	0.070 (3)	0.056 (3)	−0.038 (3)	0.015 (3)	−0.016 (3)
N2	0.066 (3)	0.049 (3)	0.053 (3)	−0.021 (3)	0.020 (3)	−0.014 (2)
N3	0.054 (3)	0.082 (3)	0.046 (3)	−0.011 (3)	−0.001 (2)	−0.014 (3)
N4	0.070 (3)	0.074 (3)	0.043 (3)	−0.040 (3)	0.003 (2)	−0.009 (3)
C1	0.060 (3)	0.053 (3)	0.045 (3)	−0.021 (3)	0.008 (3)	−0.017 (2)
C2	0.060 (3)	0.055 (3)	0.046 (2)	−0.026 (2)	0.007 (2)	−0.016 (2)
C3	0.058 (3)	0.059 (3)	0.054 (3)	−0.022 (3)	0.009 (3)	−0.017 (3)
C4	0.059 (3)	0.066 (3)	0.067 (3)	−0.018 (3)	0.008 (3)	−0.011 (3)
C5	0.065 (3)	0.072 (3)	0.081 (3)	−0.016 (3)	0.009 (3)	−0.007 (3)
C6	0.073 (3)	0.080 (3)	0.090 (3)	−0.015 (3)	0.008 (3)	−0.006 (3)
C7	0.075 (3)	0.087 (3)	0.090 (3)	−0.015 (3)	0.007 (3)	−0.003 (3)
C8	0.075 (3)	0.088 (3)	0.082 (3)	−0.016 (3)	0.003 (3)	−0.006 (3)
C9	0.066 (3)	0.078 (3)	0.075 (3)	−0.014 (3)	0.003 (3)	−0.008 (3)
C10	0.071 (3)	0.060 (3)	0.048 (3)	−0.030 (3)	0.011 (2)	−0.021 (2)
C11	0.082 (4)	0.067 (3)	0.051 (3)	−0.034 (3)	0.015 (3)	−0.021 (3)
C12	0.092 (4)	0.074 (3)	0.056 (3)	−0.036 (3)	0.020 (3)	−0.020 (3)
C13	0.098 (4)	0.078 (4)	0.056 (3)	−0.033 (3)	0.016 (3)	−0.026 (3)
C14	0.096 (4)	0.077 (3)	0.062 (3)	−0.033 (3)	0.013 (3)	−0.030 (3)
C15	0.083 (4)	0.070 (3)	0.059 (3)	−0.035 (3)	0.013 (3)	−0.025 (3)
C16	0.076 (4)	0.092 (4)	0.073 (4)	−0.001 (4)	0.007 (4)	−0.014 (4)
C17	0.114 (5)	0.122 (5)	0.122 (5)	−0.014 (4)	0.008 (4)	−0.019 (4)
C18	0.048 (3)	0.055 (3)	0.047 (2)	−0.018 (2)	−0.001 (2)	−0.013 (2)
C19	0.050 (3)	0.053 (3)	0.044 (2)	−0.019 (2)	0.001 (2)	−0.013 (2)
C20	0.061 (3)	0.057 (3)	0.047 (3)	−0.021 (3)	0.003 (3)	−0.014 (3)
C21	0.074 (3)	0.067 (3)	0.049 (3)	−0.024 (3)	0.003 (3)	−0.014 (2)
C22	0.087 (4)	0.078 (3)	0.055 (3)	−0.025 (3)	−0.001 (3)	−0.008 (3)
C23	0.097 (4)	0.088 (4)	0.057 (3)	−0.023 (4)	−0.006 (3)	−0.007 (3)
C24	0.100 (4)	0.089 (4)	0.058 (3)	−0.025 (4)	−0.008 (3)	−0.014 (3)
C25	0.097 (4)	0.080 (4)	0.059 (3)	−0.027 (3)	−0.005 (3)	−0.018 (3)
C26	0.087 (4)	0.073 (3)	0.053 (3)	−0.025 (3)	−0.001 (3)	−0.017 (3)
C27	0.051 (3)	0.056 (3)	0.048 (3)	−0.025 (2)	0.000 (2)	−0.012 (2)
C28	0.056 (3)	0.068 (3)	0.060 (3)	−0.023 (3)	0.000 (3)	−0.009 (3)
C29	0.061 (3)	0.079 (3)	0.069 (3)	−0.028 (3)	0.001 (3)	−0.006 (3)
C30	0.068 (3)	0.072 (3)	0.068 (3)	−0.035 (3)	0.000 (3)	−0.005 (3)
C31	0.068 (3)	0.064 (3)	0.066 (3)	−0.028 (3)	0.001 (3)	−0.006 (3)
C32	0.058 (3)	0.059 (3)	0.057 (3)	−0.027 (3)	0.001 (3)	−0.010 (3)
C33	0.069 (3)	0.050 (2)	0.066 (3)	−0.020 (2)	0.002 (3)	−0.028 (2)
C34	0.075 (3)	0.057 (3)	0.067 (3)	−0.021 (3)	0.007 (3)	−0.032 (2)
C35	0.093 (3)	0.074 (3)	0.078 (3)	−0.019 (3)	0.006 (3)	−0.031 (3)
C36	0.109 (3)	0.097 (3)	0.093 (3)	−0.017 (2)	0.002 (2)	−0.031 (2)
C37	0.126 (3)	0.115 (3)	0.109 (3)	−0.015 (3)	−0.002 (3)	−0.032 (3)
C38	0.136 (3)	0.128 (3)	0.118 (3)	−0.015 (3)	−0.002 (3)	−0.032 (3)
C39	0.136 (3)	0.128 (3)	0.120 (3)	−0.015 (3)	0.000 (3)	−0.033 (3)
C40	0.129 (3)	0.122 (3)	0.113 (3)	−0.014 (3)	0.003 (3)	−0.034 (3)
C41	0.116 (3)	0.110 (3)	0.101 (3)	−0.015 (3)	0.004 (3)	−0.034 (3)
C42	0.078 (3)	0.058 (3)	0.074 (3)	−0.025 (3)	0.014 (3)	−0.032 (3)
C43	0.087 (3)	0.070 (3)	0.089 (3)	−0.028 (3)	0.011 (3)	−0.031 (3)
C44	0.095 (3)	0.083 (3)	0.100 (3)	−0.027 (3)	0.010 (3)	−0.026 (3)
C45	0.099 (3)	0.085 (3)	0.099 (3)	−0.024 (3)	0.014 (3)	−0.017 (3)
C46	0.097 (3)	0.082 (3)	0.090 (3)	−0.017 (3)	0.014 (3)	−0.018 (3)
C47	0.088 (3)	0.065 (3)	0.078 (3)	−0.019 (3)	0.019 (3)	−0.024 (3)
C48	0.045 (3)	0.052 (3)	0.043 (2)	−0.017 (2)	0.003 (2)	−0.013 (2)
C49	0.051 (3)	0.055 (3)	0.045 (2)	−0.021 (2)	0.005 (2)	−0.017 (2)
C50	0.055 (3)	0.059 (3)	0.046 (3)	−0.023 (3)	0.005 (3)	−0.014 (3)
C51	0.064 (3)	0.070 (3)	0.048 (3)	−0.028 (3)	−0.001 (3)	−0.014 (2)
C52	0.073 (3)	0.084 (3)	0.053 (3)	−0.028 (3)	−0.002 (3)	−0.015 (3)
C53	0.082 (3)	0.093 (3)	0.063 (3)	−0.025 (3)	−0.002 (3)	−0.017 (3)
C54	0.086 (4)	0.096 (4)	0.062 (3)	−0.031 (3)	−0.012 (3)	−0.018 (3)
C55	0.082 (4)	0.090 (4)	0.063 (3)	−0.035 (3)	−0.012 (3)	−0.014 (3)
C56	0.072 (3)	0.080 (3)	0.054 (3)	−0.032 (3)	−0.006 (3)	−0.011 (3)
C57	0.059 (3)	0.064 (3)	0.060 (3)	−0.029 (2)	0.005 (2)	−0.020 (2)
C58	0.075 (3)	0.077 (3)	0.078 (3)	−0.029 (2)	0.011 (2)	−0.019 (2)
C59	0.083 (3)	0.088 (3)	0.084 (3)	−0.031 (3)	0.014 (3)	−0.018 (3)
C60	0.086 (3)	0.086 (3)	0.085 (3)	−0.038 (3)	0.007 (3)	−0.011 (3)
C61	0.082 (3)	0.081 (3)	0.088 (3)	−0.031 (3)	0.000 (3)	−0.009 (3)
C62	0.070 (3)	0.073 (3)	0.079 (3)	−0.031 (3)	0.002 (3)	−0.009 (3)
C63	0.060 (3)	0.046 (2)	0.046 (2)	−0.023 (2)	0.003 (2)	−0.019 (2)
C64	0.060 (3)	0.045 (2)	0.044 (2)	−0.024 (2)	0.005 (2)	−0.016 (2)
C65	0.071 (3)	0.050 (3)	0.046 (3)	−0.026 (3)	0.004 (3)	−0.016 (2)
C66	0.086 (3)	0.059 (3)	0.049 (3)	−0.027 (3)	0.003 (3)	−0.017 (2)
C67	0.097 (4)	0.072 (3)	0.056 (3)	−0.029 (3)	0.002 (3)	−0.020 (3)
C68	0.100 (3)	0.084 (3)	0.068 (3)	−0.026 (3)	0.002 (3)	−0.020 (3)
C69	0.110 (4)	0.086 (4)	0.066 (3)	−0.029 (3)	−0.006 (3)	−0.021 (3)
C70	0.107 (4)	0.082 (4)	0.068 (3)	−0.030 (3)	−0.008 (3)	−0.019 (3)
C71	0.097 (4)	0.074 (3)	0.058 (3)	−0.028 (3)	−0.002 (3)	−0.018 (3)
C72	0.061 (3)	0.043 (2)	0.047 (3)	−0.017 (2)	−0.002 (2)	−0.018 (2)
C73	0.067 (3)	0.047 (3)	0.056 (3)	−0.009 (3)	−0.001 (3)	−0.020 (3)
C74	0.076 (4)	0.053 (3)	0.067 (3)	−0.007 (3)	−0.004 (3)	−0.020 (3)
C75	0.083 (4)	0.051 (3)	0.074 (4)	−0.012 (3)	−0.009 (3)	−0.013 (3)
C76	0.079 (4)	0.052 (3)	0.067 (3)	−0.020 (3)	−0.006 (3)	−0.010 (3)
C77	0.070 (3)	0.046 (3)	0.055 (3)	−0.018 (3)	−0.002 (3)	−0.015 (3)
C78	0.061 (3)	0.071 (3)	0.036 (3)	−0.006 (3)	0.000 (3)	−0.017 (3)
C79	0.058 (3)	0.063 (3)	0.035 (2)	−0.014 (2)	0.001 (2)	−0.016 (2)
C80	0.055 (3)	0.063 (3)	0.037 (2)	−0.013 (2)	−0.001 (2)	−0.013 (2)
C81	0.060 (3)	0.065 (3)	0.044 (3)	−0.015 (3)	−0.004 (3)	−0.010 (3)
C82	0.064 (3)	0.072 (3)	0.051 (3)	−0.010 (3)	−0.003 (3)	−0.004 (3)
C83	0.064 (3)	0.083 (4)	0.050 (3)	−0.009 (3)	−0.007 (3)	−0.006 (3)
C84	0.064 (3)	0.081 (3)	0.051 (3)	−0.015 (3)	−0.011 (3)	−0.013 (3)
C85	0.061 (3)	0.070 (3)	0.046 (3)	−0.015 (3)	−0.008 (3)	−0.013 (3)
C86	0.068 (3)	0.065 (3)	0.037 (3)	−0.007 (3)	−0.001 (3)	−0.017 (3)
C87	0.082 (3)	0.075 (3)	0.048 (3)	0.007 (3)	0.001 (3)	−0.020 (3)
C88	0.084 (4)	0.080 (4)	0.049 (3)	0.006 (3)	0.003 (3)	−0.020 (3)
C89	0.097 (4)	0.094 (4)	0.056 (3)	0.014 (4)	0.007 (3)	−0.020 (3)
C90	0.110 (4)	0.104 (4)	0.065 (3)	0.026 (4)	0.010 (4)	−0.018 (4)
C91	0.117 (4)	0.104 (4)	0.071 (4)	0.032 (4)	0.008 (4)	−0.014 (4)
C92	0.106 (4)	0.094 (4)	0.063 (3)	0.025 (4)	0.005 (3)	−0.014 (3)
C93	0.085 (4)	0.074 (3)	0.055 (3)	−0.042 (3)	0.002 (3)	−0.011 (3)
C94	0.092 (4)	0.082 (4)	0.063 (3)	−0.046 (3)	−0.004 (3)	−0.009 (3)
C95	0.084 (4)	0.093 (4)	0.063 (3)	−0.050 (3)	−0.009 (3)	−0.005 (3)
C96	0.070 (3)	0.099 (3)	0.053 (3)	−0.044 (3)	−0.005 (3)	−0.002 (3)
C97	0.066 (3)	0.115 (4)	0.061 (3)	−0.042 (3)	−0.009 (3)	0.001 (3)
C98	0.061 (3)	0.121 (4)	0.062 (3)	−0.027 (3)	−0.005 (3)	0.000 (3)
C99	0.059 (3)	0.110 (3)	0.054 (3)	−0.017 (3)	−0.004 (3)	−0.006 (3)
C100	0.065 (4)	0.112 (4)	0.062 (3)	−0.004 (3)	−0.002 (3)	−0.010 (3)
C101	0.068 (4)	0.101 (4)	0.060 (3)	0.000 (3)	−0.002 (3)	−0.015 (3)
C102	0.062 (3)	0.090 (4)	0.057 (3)	−0.003 (3)	0.000 (3)	−0.015 (3)
C103	0.054 (3)	0.093 (3)	0.044 (3)	−0.021 (3)	−0.003 (2)	−0.008 (3)
C104	0.062 (3)	0.088 (3)	0.044 (2)	−0.037 (3)	−0.002 (2)	−0.007 (3)
C105	0.064 (3)	0.082 (3)	0.064 (3)	−0.041 (3)	0.013 (3)	−0.016 (3)
C106	0.068 (3)	0.090 (3)	0.066 (3)	−0.046 (3)	0.011 (3)	−0.020 (3)
C107	0.074 (3)	0.087 (3)	0.063 (3)	−0.052 (3)	0.013 (3)	−0.021 (3)
C108	0.081 (3)	0.071 (3)	0.058 (3)	−0.046 (3)	0.013 (3)	−0.020 (3)
C109	0.092 (4)	0.067 (3)	0.069 (3)	−0.045 (3)	0.012 (3)	−0.014 (3)
C110	0.094 (4)	0.059 (3)	0.072 (3)	−0.034 (3)	0.011 (3)	−0.012 (3)
C111	0.086 (3)	0.054 (3)	0.066 (3)	−0.028 (3)	0.015 (3)	−0.011 (3)
C112	0.088 (4)	0.056 (3)	0.074 (3)	−0.015 (3)	0.014 (3)	−0.006 (3)
C113	0.080 (4)	0.057 (3)	0.074 (3)	−0.012 (3)	0.017 (3)	−0.004 (3)
C114	0.071 (3)	0.052 (3)	0.067 (3)	−0.018 (3)	0.016 (3)	−0.008 (3)
C115	0.074 (3)	0.051 (2)	0.052 (3)	−0.028 (2)	0.017 (3)	−0.016 (2)
C116	0.071 (3)	0.062 (3)	0.051 (3)	−0.039 (3)	0.015 (2)	−0.018 (2)

Geometric parameters (Å, º)

La1—O7	2.436 (5)	C47—H47	0.9300
La1—O9	2.440 (5)	C48—C49	1.514 (10)
La1—O3	2.483 (5)	C49—C50	1.339 (10)
La1—O2	2.499 (5)	C49—C57	1.487 (11)
La1—O5	2.500 (5)	C50—C51	1.469 (11)
La1—O13	2.553 (5)	C50—H50	0.9300
La1—N1	2.722 (7)	C51—C56	1.368 (12)
La1—N2	2.733 (7)	C51—C52	1.385 (11)
La2—O11	2.398 (5)	C52—C53	1.384 (12)
La2—O4	2.413 (5)	C52—H52	0.9300
La2—O6	2.445 (5)	C53—C54	1.358 (14)
La2—O10	2.462 (5)	C53—H53	0.9300
La2—O8	2.539 (5)	C54—C55	1.372 (13)
La2—O14	2.620 (5)	C54—H54	0.9300
La2—N4	2.732 (7)	C55—C56	1.395 (12)
La2—N3	2.772 (7)	C55—H55	0.9300
O1—C1	1.244 (9)	C56—H56	0.9300
O2—C1	1.261 (8)	C57—C58	1.367 (12)
O3—C18	1.255 (9)	C57—C62	1.375 (12)
O4—C18	1.249 (9)	C58—C59	1.410 (13)
O5—C33	1.246 (10)	C58—H58	0.9300
O6—C33	1.256 (10)	C59—C60	1.338 (14)
O7—C63	1.268 (8)	C59—H59	0.9300
O8—C63	1.255 (9)	C60—C61	1.300 (14)
O9—C48	1.267 (9)	C60—H60	0.9300
O10—C48	1.244 (9)	C61—C62	1.405 (13)
O11—C78	1.285 (9)	C61—H61	0.9300
O12—C78	1.222 (10)	C62—H62	0.9300
O13—C16	1.381 (11)	C63—C64	1.514 (9)
N1—C105	1.317 (11)	C64—C65	1.350 (10)
N1—C116	1.362 (11)	C64—C72	1.478 (10)
N2—C114	1.337 (11)	C65—C66	1.483 (10)
N2—C115	1.368 (10)	C65—H65	0.9300
N3—C102	1.339 (11)	C66—C71	1.364 (13)
N3—C103	1.357 (11)	C66—C67	1.365 (12)
N4—C93	1.346 (11)	C67—C68	1.394 (12)
N4—C104	1.359 (11)	C67—H67	0.9300
C1—C2	1.512 (11)	C68—C69	1.347 (14)
C2—C3	1.339 (11)	C68—H68	0.9300
C2—C10	1.493 (10)	C69—C70	1.386 (14)
C3—C4	1.458 (12)	C69—H69	0.9300
C3—H3	0.9300	C70—C71	1.394 (12)
C4—C9	1.392 (13)	C70—H70	0.9300
C4—C5	1.410 (12)	C71—H71	0.9300
C5—C6	1.393 (13)	C72—C73	1.381 (11)
C5—H5	0.9300	C72—C77	1.384 (11)
C6—C7	1.314 (14)	C73—C74	1.398 (11)
C6—H6	0.9300	C73—H73	0.9300
C7—C8	1.355 (14)	C74—C75	1.359 (13)
C7—H7	0.9300	C74—H74	0.9300
C8—C9	1.417 (13)	C75—C76	1.365 (12)
C8—H8	0.9300	C75—H75	0.9300
C9—H9	0.9300	C76—C77	1.403 (11)
C10—C11	1.370 (11)	C76—H76	0.9300
C10—C15	1.386 (11)	C77—H77	0.9300
C11—C12	1.376 (11)	C78—C79	1.505 (10)
C11—H11	0.9300	C79—C86	1.332 (11)
C12—C13	1.357 (12)	C79—C80	1.484 (11)
C12—H12	0.9300	C80—C81	1.382 (11)
C13—C14	1.369 (13)	C80—C85	1.392 (11)
C13—H13	0.9300	C81—C82	1.380 (11)
C14—C15	1.394 (11)	C81—H81	0.9300
C14—H14	0.9300	C82—C83	1.347 (12)
C15—H15	0.9300	C82—H82	0.9300
C16—C17	1.456 (15)	C83—C84	1.375 (12)
C16—H16A	0.9700	C83—H83	0.9300
C16—H16B	0.9700	C84—C85	1.390 (11)
C17—H17A	0.9600	C84—H84	0.9300
C17—H17B	0.9600	C85—H85	0.9300
C17—H17C	0.9600	C86—C87	1.473 (11)
C18—C19	1.512 (10)	C86—H86	0.9300
C19—C20	1.334 (10)	C87—C92	1.381 (13)
C19—C27	1.478 (10)	C87—C88	1.385 (12)
C20—C21	1.466 (11)	C88—C89	1.387 (12)
C20—H20	0.9300	C88—H88	0.9300
C21—C22	1.378 (12)	C89—C90	1.363 (13)
C21—C26	1.403 (12)	C89—H89	0.9300
C22—C23	1.391 (13)	C90—C91	1.356 (14)
C22—H22	0.9300	C90—H90	0.9300
C23—C24	1.359 (14)	C91—C92	1.394 (13)
C23—H23	0.9300	C91—H91	0.9300
C24—C25	1.361 (13)	C92—H92	0.9300
C24—H24	0.9300	C93—C94	1.416 (12)
C25—C26	1.396 (12)	C93—H93	0.9300
C25—H25	0.9300	C94—C95	1.334 (14)
C26—H26	0.9300	C94—H94	0.9300
C27—C32	1.386 (11)	C95—C96	1.362 (14)
C27—C28	1.395 (11)	C95—H95	0.9300
C28—C29	1.378 (12)	C96—C97	1.423 (14)
C28—H28	0.9300	C96—C104	1.441 (12)
C29—C30	1.365 (12)	C97—C98	1.287 (14)
C29—H29	0.9300	C97—H97	0.9300
C30—C31	1.385 (12)	C98—C99	1.462 (15)
C30—H30	0.9300	C98—H98	0.9300
C31—C32	1.382 (11)	C99—C100	1.357 (14)
C31—H31	0.9300	C99—C103	1.418 (12)
C32—H32	0.9300	C100—C101	1.338 (15)
C33—C34	1.509 (10)	C100—H100	0.9300
C34—C35	1.332 (12)	C101—C102	1.412 (13)
C34—C42	1.474 (12)	C101—H101	0.9300
C35—C36	1.470 (14)	C102—H102	0.9300
C35—H35	0.9300	C103—C104	1.420 (13)
C36—C41	1.357 (15)	C105—C106	1.388 (12)
C36—C37	1.400 (16)	C105—H105	0.9300
C37—C38	1.444 (17)	C106—C107	1.344 (13)
C37—H37	0.9300	C106—H106	0.9300
C38—C39	1.349 (17)	C107—C108	1.397 (13)
C38—H38	0.9300	C107—H107	0.9300
C39—C40	1.376 (18)	C108—C116	1.428 (11)
C39—H39	0.9300	C108—C109	1.431 (13)
C40—C41	1.415 (16)	C109—C110	1.300 (13)
C40—H40	0.9300	C109—H109	0.9300
C41—H41	0.9300	C110—C111	1.453 (12)
C42—C47	1.377 (13)	C110—H110	0.9300
C42—C43	1.408 (13)	C111—C112	1.385 (13)
C43—C44	1.412 (14)	C111—C115	1.398 (12)
C43—H43	0.9300	C112—C113	1.357 (13)
C44—C45	1.301 (15)	C112—H112	0.9300
C44—H44	0.9300	C113—C114	1.393 (12)
C45—C46	1.362 (15)	C113—H113	0.9300
C45—H45	0.9300	C114—H114	0.9300
C46—C47	1.421 (13)	C115—C116	1.433 (12)
C46—H46	0.9300
O7—La1—O9	71.71 (17)	C44—C45—C46	125.7 (12)
O7—La1—O3	83.80 (18)	C44—C45—H45	117.1
O9—La1—O3	133.01 (17)	C46—C45—H45	117.1
O7—La1—O2	95.19 (18)	C45—C46—C47	115.4 (11)
O9—La1—O2	80.78 (17)	C45—C46—H46	122.3
O3—La1—O2	142.35 (17)	C47—C46—H46	122.3
O7—La1—O5	111.75 (18)	C42—C47—C46	121.9 (10)
O9—La1—O5	79.10 (17)	C42—C47—H47	119.1
O3—La1—O5	73.63 (17)	C46—C47—H47	119.1
O2—La1—O5	138.85 (18)	O10—C48—O9	124.9 (7)
O7—La1—O13	78.69 (19)	O10—C48—C49	117.0 (7)
O9—La1—O13	135.67 (18)	O9—C48—C49	118.1 (7)
O3—La1—O13	73.25 (17)	C50—C49—C57	126.0 (7)
O2—La1—O13	69.69 (18)	C50—C49—C48	118.0 (7)
O5—La1—O13	143.78 (19)	C57—C49—C48	115.5 (7)
O7—La1—N1	149.7 (2)	C49—C50—C51	132.1 (8)
O9—La1—N1	138.6 (2)	C49—C50—H50	114.0
O3—La1—N1	74.5 (2)	C51—C50—H50	114.0
O2—La1—N1	89.6 (2)	C56—C51—C52	117.6 (8)
O5—La1—N1	82.48 (19)	C56—C51—C50	125.9 (8)
O13—La1—N1	74.9 (2)	C52—C51—C50	116.4 (8)
O7—La1—N2	149.2 (2)	C53—C52—C51	121.2 (9)
O9—La1—N2	78.96 (19)	C53—C52—H52	119.4
O3—La1—N2	124.42 (19)	C51—C52—H52	119.4
O2—La1—N2	70.48 (18)	C54—C53—C52	120.6 (10)
O5—La1—N2	70.65 (19)	C54—C53—H53	119.7
O13—La1—N2	118.50 (19)	C52—C53—H53	119.7
N1—La1—N2	59.9 (2)	C53—C54—C55	119.2 (9)
O11—La2—O4	88.9 (2)	C53—C54—H54	120.4
O11—La2—O6	81.5 (2)	C55—C54—H54	120.4
O4—La2—O6	73.2 (2)	C54—C55—C56	120.2 (10)
O11—La2—O10	137.06 (18)	C54—C55—H55	119.9
O4—La2—O10	117.42 (18)	C56—C55—H55	119.9
O6—La2—O10	75.47 (19)	C51—C56—C55	121.2 (9)
O11—La2—O8	140.35 (18)	C51—C56—H56	119.4
O4—La2—O8	89.07 (18)	C55—C56—H56	119.4
O6—La2—O8	135.09 (18)	C58—C57—C62	117.2 (9)
O10—La2—O8	77.16 (17)	C58—C57—C49	122.2 (8)
O11—La2—O14	71.45 (17)	C62—C57—C49	120.5 (8)
O4—La2—O14	73.82 (19)	C57—C58—C59	120.5 (9)
O6—La2—O14	137.28 (19)	C57—C58—H58	119.8
O10—La2—O14	145.25 (17)	C59—C58—H58	119.8
O8—La2—O14	70.00 (16)	C60—C59—C58	119.3 (10)
O11—La2—N4	88.6 (2)	C60—C59—H59	120.4
O4—La2—N4	150.0 (2)	C58—C59—H59	120.4
O6—La2—N4	135.7 (2)	C61—C60—C59	122.3 (11)
O10—La2—N4	83.50 (19)	C61—C60—H60	118.8
O8—La2—N4	74.23 (19)	C59—C60—H60	118.8
O14—La2—N4	77.1 (2)	C60—C61—C62	119.6 (11)
O11—La2—N3	70.1 (2)	C60—C61—H61	120.2
O4—La2—N3	146.0 (2)	C62—C61—H61	120.2
O6—La2—N3	77.3 (2)	C57—C62—C61	121.1 (10)
O10—La2—N3	69.76 (18)	C57—C62—H62	119.5
O8—La2—N3	124.3 (2)	C61—C62—H62	119.5
O14—La2—N3	120.75 (19)	O8—C63—O7	122.2 (6)
N4—La2—N3	58.8 (2)	O8—C63—C64	118.4 (6)
C1—O2—La1	141.2 (5)	O7—C63—C64	119.4 (7)
C18—O3—La1	121.4 (5)	C65—C64—C72	123.5 (6)
C18—O4—La2	151.4 (5)	C65—C64—C63	117.1 (6)
C33—O5—La1	135.3 (5)	C72—C64—C63	119.5 (6)
C33—O6—La2	148.9 (6)	C64—C65—C66	126.7 (7)
C63—O7—La1	175.0 (5)	C64—C65—H65	116.6
C63—O8—La2	112.3 (4)	C66—C65—H65	116.6
C48—O9—La1	131.6 (5)	C71—C66—C67	118.7 (8)
C48—O10—La2	139.2 (5)	C71—C66—C65	121.8 (8)
C78—O11—La2	144.4 (5)	C67—C66—C65	119.4 (8)
C16—O13—La1	137.0 (5)	C66—C67—C68	121.1 (10)
C105—N1—C116	118.1 (8)	C66—C67—H67	119.4
C105—N1—La1	120.1 (6)	C68—C67—H67	119.5
C116—N1—La1	121.8 (6)	C69—C68—C67	120.1 (10)
C114—N2—C115	116.7 (7)	C69—C68—H68	119.9
C114—N2—La1	121.5 (5)	C67—C68—H68	119.9
C115—N2—La1	121.8 (6)	C68—C69—C70	119.5 (10)
C102—N3—C103	117.6 (8)	C68—C69—H69	120.2
C102—N3—La2	120.4 (6)	C70—C69—H69	120.2
C103—N3—La2	122.0 (6)	C69—C70—C71	119.7 (11)
C93—N4—C104	118.6 (8)	C69—C70—H70	120.1
C93—N4—La2	118.7 (6)	C71—C70—H70	120.1
C104—N4—La2	122.7 (6)	C66—C71—C70	120.7 (10)
O1—C1—O2	125.2 (8)	C66—C71—H71	119.7
O1—C1—C2	116.6 (6)	C70—C71—H71	119.7
O2—C1—C2	118.1 (7)	C73—C72—C77	118.3 (7)
C3—C2—C10	123.8 (8)	C73—C72—C64	118.8 (7)
C3—C2—C1	119.2 (7)	C77—C72—C64	122.9 (7)
C10—C2—C1	116.7 (7)	C72—C73—C74	121.0 (8)
C2—C3—C4	129.2 (8)	C72—C73—H73	119.5
C2—C3—H3	115.4	C74—C73—H73	119.5
C4—C3—H3	115.4	C75—C74—C73	119.3 (9)
C9—C4—C5	118.4 (9)	C75—C74—H74	120.3
C9—C4—C3	124.4 (9)	C73—C74—H74	120.3
C5—C4—C3	117.2 (9)	C74—C75—C76	121.4 (9)
C6—C5—C4	119.9 (10)	C74—C75—H75	119.3
C6—C5—H5	120.1	C76—C75—H75	119.3
C4—C5—H5	120.1	C75—C76—C77	119.1 (9)
C7—C6—C5	119.7 (11)	C75—C76—H76	120.4
C7—C6—H6	120.1	C77—C76—H76	120.4
C5—C6—H6	120.1	C72—C77—C76	120.8 (8)
C6—C7—C8	124.0 (12)	C72—C77—H77	119.6
C6—C7—H7	118.0	C76—C77—H77	119.6
C8—C7—H7	118.0	O12—C78—O11	123.9 (7)
C7—C8—C9	118.3 (11)	O12—C78—C79	118.9 (7)
C7—C8—H8	120.9	O11—C78—C79	117.2 (7)
C9—C8—H8	120.9	C86—C79—C80	125.4 (7)
C4—C9—C8	119.7 (10)	C86—C79—C78	118.8 (7)
C4—C9—H9	120.2	C80—C79—C78	115.8 (7)
C8—C9—H9	120.2	C81—C80—C85	117.2 (8)
C11—C10—C15	118.0 (7)	C81—C80—C79	123.3 (7)
C11—C10—C2	121.8 (7)	C85—C80—C79	119.4 (8)
C15—C10—C2	120.1 (8)	C82—C81—C80	120.9 (8)
C10—C11—C12	122.0 (8)	C82—C81—H81	119.5
C10—C11—H11	119.0	C80—C81—H81	119.5
C12—C11—H11	119.0	C83—C82—C81	120.9 (9)
C13—C12—C11	120.1 (9)	C83—C82—H82	119.5
C13—C12—H12	119.9	C81—C82—H82	119.5
C11—C12—H12	119.9	C82—C83—C84	120.4 (9)
C12—C13—C14	119.3 (8)	C82—C83—H83	119.8
C12—C13—H13	120.3	C84—C83—H83	119.8
C14—C13—H13	120.3	C83—C84—C85	118.8 (9)
C13—C14—C15	120.9 (9)	C83—C84—H84	120.6
C13—C14—H14	119.6	C85—C84—H84	120.6
C15—C14—H14	119.6	C84—C85—C80	121.6 (9)
C10—C15—C14	119.7 (9)	C84—C85—H85	119.2
C10—C15—H15	120.2	C80—C85—H85	119.2
C14—C15—H15	120.2	C79—C86—C87	131.1 (8)
O13—C16—C17	113.6 (10)	C79—C86—H86	114.5
O13—C16—H16A	108.8	C87—C86—H86	114.5
C17—C16—H16A	108.8	C92—C87—C88	116.9 (8)
O13—C16—H16B	108.8	C92—C87—C86	118.5 (8)
C17—C16—H16B	108.8	C88—C87—C86	124.1 (8)
H16A—C16—H16B	107.7	C87—C88—C89	121.4 (9)
C16—C17—H17A	109.5	C87—C88—H88	119.3
C16—C17—H17B	109.5	C89—C88—H88	119.3
H17A—C17—H17B	109.5	C90—C89—C88	119.6 (10)
C16—C17—H17C	109.5	C90—C89—H89	120.2
H17A—C17—H17C	109.5	C88—C89—H89	120.2
H17B—C17—H17C	109.5	C91—C90—C89	121.0 (10)
O4—C18—O3	123.2 (7)	C91—C90—H90	119.5
O4—C18—C19	119.3 (7)	C89—C90—H90	119.5
O3—C18—C19	117.5 (7)	C90—C91—C92	118.9 (10)
C20—C19—C27	124.3 (7)	C90—C91—H91	120.5
C20—C19—C18	118.6 (7)	C92—C91—H91	120.5
C27—C19—C18	117.0 (6)	C87—C92—C91	122.0 (10)
C19—C20—C21	131.1 (8)	C87—C92—H92	119.0
C19—C20—H20	114.5	C91—C92—H92	119.0
C21—C20—H20	114.5	N4—C93—C94	122.1 (9)
C22—C21—C26	117.9 (8)	N4—C93—H93	118.9
C22—C21—C20	118.9 (8)	C94—C93—H93	118.9
C26—C21—C20	123.1 (8)	C95—C94—C93	118.2 (10)
C21—C22—C23	121.4 (10)	C95—C94—H94	120.9
C21—C22—H22	119.3	C93—C94—H94	120.9
C23—C22—H22	119.3	C94—C95—C96	123.0 (10)
C24—C23—C22	120.2 (10)	C94—C95—H95	118.5
C24—C23—H23	119.9	C96—C95—H95	118.5
C22—C23—H23	119.9	C95—C96—C97	125.2 (10)
C23—C24—C25	119.7 (10)	C95—C96—C104	117.0 (9)
C23—C24—H24	120.1	C97—C96—C104	117.8 (10)
C25—C24—H24	120.1	C98—C97—C96	121.6 (11)
C24—C25—C26	121.3 (10)	C98—C97—H97	119.2
C24—C25—H25	119.4	C96—C97—H97	119.2
C26—C25—H25	119.4	C97—C98—C99	124.4 (10)
C25—C26—C21	119.4 (9)	C97—C98—H98	117.8
C25—C26—H26	120.3	C99—C98—H98	117.8
C21—C26—H26	120.3	C100—C99—C103	117.8 (11)
C32—C27—C28	117.2 (8)	C100—C99—C98	126.4 (10)
C32—C27—C19	121.0 (7)	C103—C99—C98	115.7 (10)
C28—C27—C19	121.7 (7)	C101—C100—C99	121.6 (10)
C29—C28—C27	121.2 (9)	C101—C100—H100	119.2
C29—C28—H28	119.4	C99—C100—H100	119.2
C27—C28—H28	119.4	C100—C101—C102	118.8 (11)
C30—C29—C28	120.6 (9)	C100—C101—H101	120.6
C30—C29—H29	119.7	C102—C101—H101	120.6
C28—C29—H29	119.7	N3—C102—C101	122.2 (10)
C29—C30—C31	119.7 (9)	N3—C102—H102	118.9
C29—C30—H30	120.2	C101—C102—H102	118.9
C31—C30—H30	120.2	N3—C103—C104	117.5 (8)
C30—C31—C32	119.6 (9)	N3—C103—C99	122.0 (9)
C30—C31—H31	120.2	C104—C103—C99	120.5 (10)
C32—C31—H31	120.2	N4—C104—C103	118.9 (8)
C31—C32—C27	121.7 (8)	N4—C104—C96	121.1 (9)
C31—C32—H32	119.2	C103—C104—C96	120.0 (9)
C27—C32—H32	119.2	N1—C105—C106	124.2 (10)
O5—C33—O6	124.4 (7)	N1—C105—H105	117.9
O5—C33—C34	118.3 (8)	C106—C105—H105	117.9
O6—C33—C34	117.3 (8)	C107—C106—C105	118.7 (10)
C35—C34—C42	123.3 (8)	C107—C106—H106	120.6
C35—C34—C33	118.2 (8)	C105—C106—H106	120.6
C42—C34—C33	118.5 (8)	C106—C107—C108	120.4 (9)
C34—C35—C36	128.5 (10)	C106—C107—H107	119.8
C34—C35—H35	115.7	C108—C107—H107	119.8
C36—C35—H35	115.7	C107—C108—C116	117.5 (9)
C41—C36—C37	120.0 (12)	C107—C108—C109	125.8 (9)
C41—C36—C35	121.9 (12)	C116—C108—C109	116.6 (9)
C37—C36—C35	118.0 (11)	C110—C109—C108	124.4 (9)
C36—C37—C38	116.9 (13)	C110—C109—H109	117.8
C36—C37—H37	121.5	C108—C109—H109	117.8
C38—C37—H37	121.5	C109—C110—C111	120.1 (9)
C39—C38—C37	120.9 (15)	C109—C110—H110	120.0
C39—C38—H38	119.6	C111—C110—H110	120.0
C37—C38—H38	119.6	C112—C111—C115	117.0 (9)
C38—C39—C40	122.2 (15)	C112—C111—C110	123.6 (9)
C38—C39—H39	118.9	C115—C111—C110	119.4 (9)
C40—C39—H39	118.9	C113—C112—C111	121.3 (9)
C39—C40—C41	116.5 (13)	C113—C112—H112	119.3
C39—C40—H40	121.7	C111—C112—H112	119.3
C41—C40—H40	121.7	C112—C113—C114	118.1 (10)
C36—C41—C40	123.0 (13)	C112—C113—H113	120.9
C36—C41—H41	118.5	C114—C113—H113	120.9
C40—C41—H41	118.5	N2—C114—C113	123.7 (9)
C47—C42—C43	118.5 (9)	N2—C114—H114	118.1
C47—C42—C34	121.1 (9)	C113—C114—H114	118.1
C43—C42—C34	120.4 (9)	N2—C115—C111	123.1 (9)
C42—C43—C44	118.6 (11)	N2—C115—C116	117.6 (7)
C42—C43—H43	120.7	C111—C115—C116	119.3 (8)
C44—C43—H43	120.7	N1—C116—C108	121.0 (9)
C45—C44—C43	119.7 (12)	N1—C116—C115	118.8 (7)
C45—C44—H44	120.1	C108—C116—C115	120.2 (8)
C43—C44—H44	120.1
O7—La1—O2—C1	87.6 (8)	La2—O6—C33—O5	−34.7 (17)
O9—La1—O2—C1	158.1 (8)	La2—O6—C33—C34	145.6 (8)
O3—La1—O2—C1	1.1 (9)	O5—C33—C34—C35	160.5 (9)
O5—La1—O2—C1	−140.4 (8)	O6—C33—C34—C35	−19.8 (13)
O13—La1—O2—C1	11.7 (8)	O5—C33—C34—C42	−16.6 (13)
N1—La1—O2—C1	−62.4 (8)	O6—C33—C34—C42	163.1 (9)
N2—La1—O2—C1	−120.4 (8)	C42—C34—C35—C36	−8.1 (18)
O7—La1—O3—C18	63.0 (6)	C33—C34—C35—C36	174.9 (11)
O9—La1—O3—C18	5.3 (6)	C34—C35—C36—C41	−45 (2)
O2—La1—O3—C18	153.5 (5)	C34—C35—C36—C37	133.7 (14)
O5—La1—O3—C18	−51.8 (5)	C41—C36—C37—C38	1 (2)
O13—La1—O3—C18	143.1 (6)	C35—C36—C37—C38	−178.2 (12)
N1—La1—O3—C18	−138.4 (6)	C36—C37—C38—C39	−4 (2)
N2—La1—O3—C18	−103.5 (6)	C37—C38—C39—C40	8 (3)
O11—La2—O4—C18	103.5 (11)	C38—C39—C40—C41	−8 (2)
O6—La2—O4—C18	22.1 (10)	C37—C36—C41—C40	−1 (2)
O10—La2—O4—C18	−41.1 (11)	C35—C36—C41—C40	177.5 (12)
O8—La2—O4—C18	−116.1 (11)	C39—C40—C41—C36	5 (2)
O14—La2—O4—C18	174.5 (11)	C35—C34—C42—C47	133.2 (11)
N4—La2—O4—C18	−171.2 (9)	C33—C34—C42—C47	−49.8 (13)
N3—La2—O4—C18	53.1 (12)	C35—C34—C42—C43	−47.8 (14)
O7—La1—O5—C33	6.2 (9)	C33—C34—C42—C43	129.1 (9)
O9—La1—O5—C33	−58.9 (8)	C47—C42—C43—C44	−3.4 (14)
O3—La1—O5—C33	82.4 (8)	C34—C42—C43—C44	177.7 (9)
O2—La1—O5—C33	−120.9 (8)	C42—C43—C44—C45	3.3 (16)
O13—La1—O5—C33	107.0 (8)	C43—C44—C45—C46	−2.9 (18)
N1—La1—O5—C33	158.4 (8)	C44—C45—C46—C47	2.4 (17)
N2—La1—O5—C33	−140.9 (8)	C43—C42—C47—C46	3.0 (14)
O11—La2—O6—C33	−119.9 (11)	C34—C42—C47—C46	−178.0 (9)
O4—La2—O6—C33	−28.5 (11)	C45—C46—C47—C42	−2.4 (15)
O10—La2—O6—C33	96.6 (11)	La2—O10—C48—O9	42.3 (12)
O8—La2—O6—C33	42.4 (12)	La2—O10—C48—C49	−137.4 (6)
O14—La2—O6—C33	−69.4 (12)	La1—O9—C48—O10	−61.2 (9)
N4—La2—O6—C33	160.9 (10)	La1—O9—C48—C49	118.6 (7)
N3—La2—O6—C33	168.7 (11)	O10—C48—C49—C50	165.2 (7)
O9—La1—O7—C63	−54 (6)	O9—C48—C49—C50	−14.5 (11)
O3—La1—O7—C63	166 (6)	O10—C48—C49—C57	−7.4 (10)
O2—La1—O7—C63	24 (6)	O9—C48—C49—C57	172.9 (7)
O5—La1—O7—C63	−124 (6)	C57—C49—C50—C51	−2.1 (15)
O13—La1—O7—C63	92 (6)	C48—C49—C50—C51	−173.8 (8)
N1—La1—O7—C63	122 (6)	C49—C50—C51—C56	−15.1 (16)
N2—La1—O7—C63	−36 (6)	C49—C50—C51—C52	166.2 (9)
O11—La2—O8—C63	148.2 (5)	C56—C51—C52—C53	1.0 (15)
O4—La2—O8—C63	61.0 (5)	C50—C51—C52—C53	179.8 (9)
O6—La2—O8—C63	−3.8 (7)	C51—C52—C53—C54	−0.8 (16)
O10—La2—O8—C63	−57.4 (5)	C52—C53—C54—C55	0.3 (16)
O14—La2—O8—C63	134.1 (6)	C53—C54—C55—C56	0.0 (16)
N4—La2—O8—C63	−144.2 (6)	C52—C51—C56—C55	−0.6 (15)
N3—La2—O8—C63	−111.6 (5)	C50—C51—C56—C55	−179.4 (9)
O7—La1—O9—C48	−12.5 (6)	C54—C55—C56—C51	0.1 (16)
O3—La1—O9—C48	49.9 (7)	C50—C49—C57—C58	106.7 (11)
O2—La1—O9—C48	−111.1 (6)	C48—C49—C57—C58	−81.3 (11)
O5—La1—O9—C48	105.0 (6)	C50—C49—C57—C62	−75.3 (12)
O13—La1—O9—C48	−63.1 (7)	C48—C49—C57—C62	96.6 (10)
N1—La1—O9—C48	170.2 (5)	C62—C57—C58—C59	−1.5 (14)
N2—La1—O9—C48	177.2 (6)	C49—C57—C58—C59	176.4 (9)
O11—La2—O10—C48	−133.9 (7)	C57—C58—C59—C60	−0.1 (16)
O4—La2—O10—C48	−12.1 (8)	C58—C59—C60—C61	1.0 (18)
O6—La2—O10—C48	−74.0 (7)	C59—C60—C61—C62	−0.2 (18)
O8—La2—O10—C48	70.0 (7)	C58—C57—C62—C61	2.3 (14)
O14—La2—O10—C48	89.2 (8)	C49—C57—C62—C61	−175.7 (9)
N4—La2—O10—C48	145.2 (7)	C60—C61—C62—C57	−1.5 (16)
N3—La2—O10—C48	−155.6 (8)	La2—O8—C63—O7	−13.1 (10)
O4—La2—O11—C78	74.9 (10)	La2—O8—C63—C64	165.3 (5)
O6—La2—O11—C78	148.1 (10)	La1—O7—C63—O8	136 (5)
O10—La2—O11—C78	−154.1 (9)	La1—O7—C63—C64	−43 (6)
O8—La2—O11—C78	−12.4 (12)	O8—C63—C64—C65	−159.3 (8)
O14—La2—O11—C78	1.6 (10)	O7—C63—C64—C65	19.2 (12)
N4—La2—O11—C78	−75.2 (10)	O8—C63—C64—C72	21.1 (11)
N3—La2—O11—C78	−132.4 (10)	O7—C63—C64—C72	−160.4 (7)
O7—La1—O13—C16	51.0 (9)	C72—C64—C65—C66	−9.1 (14)
O9—La1—O13—C16	99.5 (9)	C63—C64—C65—C66	171.4 (8)
O3—La1—O13—C16	−35.8 (9)	C64—C65—C66—C71	−52.0 (14)
O2—La1—O13—C16	150.9 (10)	C64—C65—C66—C67	132.4 (10)
O5—La1—O13—C16	−60.5 (10)	C71—C66—C67—C68	3.6 (15)
N1—La1—O13—C16	−113.8 (9)	C65—C66—C67—C68	179.3 (9)
N2—La1—O13—C16	−156.4 (9)	C66—C67—C68—C69	−4.6 (16)
O7—La1—N1—C105	12.5 (8)	C67—C68—C69—C70	2.1 (17)
O9—La1—N1—C105	−172.5 (5)	C68—C69—C70—C71	1.2 (17)
O3—La1—N1—C105	−33.4 (6)	C67—C66—C71—C70	−0.1 (15)
O2—La1—N1—C105	112.1 (6)	C65—C66—C71—C70	−175.7 (9)
O5—La1—N1—C105	−108.4 (6)	C69—C70—C71—C66	−2.3 (16)
O13—La1—N1—C105	43.0 (6)	C65—C64—C72—C73	−54.7 (12)
N2—La1—N1—C105	179.6 (7)	C63—C64—C72—C73	124.9 (8)
O7—La1—N1—C116	−169.6 (5)	C65—C64—C72—C77	127.0 (9)
O9—La1—N1—C116	5.4 (7)	C63—C64—C72—C77	−53.5 (11)
O3—La1—N1—C116	144.5 (6)	C77—C72—C73—C74	−0.3 (12)
O2—La1—N1—C116	−70.1 (6)	C64—C72—C73—C74	−178.7 (8)
O5—La1—N1—C116	69.5 (6)	C72—C73—C74—C75	−0.2 (13)
O13—La1—N1—C116	−139.1 (6)	C73—C74—C75—C76	0.4 (14)
N2—La1—N1—C116	−2.5 (5)	C74—C75—C76—C77	−0.1 (14)
O7—La1—N2—C114	−11.4 (8)	C73—C72—C77—C76	0.7 (12)
O9—La1—N2—C114	6.6 (6)	C64—C72—C77—C76	179.0 (8)
O3—La1—N2—C114	141.7 (6)	C75—C76—C77—C72	−0.5 (13)
O2—La1—N2—C114	−77.4 (6)	La2—O11—C78—O12	−12.9 (17)
O5—La1—N2—C114	88.8 (6)	La2—O11—C78—C79	167.3 (6)
O13—La1—N2—C114	−129.7 (6)	O12—C78—C79—C86	175.4 (9)
N1—La1—N2—C114	−178.7 (7)	O11—C78—C79—C86	−4.9 (13)
O7—La1—N2—C115	169.7 (5)	O12—C78—C79—C80	−3.8 (13)
O9—La1—N2—C115	−172.2 (6)	O11—C78—C79—C80	175.9 (8)
O3—La1—N2—C115	−37.1 (6)	C86—C79—C80—C81	−113.3 (10)
O2—La1—N2—C115	103.8 (6)	C78—C79—C80—C81	65.9 (11)
O5—La1—N2—C115	−90.0 (6)	C86—C79—C80—C85	67.4 (12)
O13—La1—N2—C115	51.4 (6)	C78—C79—C80—C85	−113.5 (9)
N1—La1—N2—C115	2.5 (5)	C85—C80—C81—C82	−2.3 (12)
O11—La2—N3—C102	−77.0 (6)	C79—C80—C81—C82	178.3 (7)
O4—La2—N3—C102	−21.9 (8)	C80—C81—C82—C83	1.6 (13)
O6—La2—N3—C102	8.5 (6)	C81—C82—C83—C84	0.9 (14)
O10—La2—N3—C102	87.4 (6)	C82—C83—C84—C85	−2.6 (14)
O8—La2—N3—C102	144.9 (6)	C83—C84—C85—C80	1.8 (13)
O14—La2—N3—C102	−129.5 (6)	C81—C80—C85—C84	0.6 (12)
N4—La2—N3—C102	−177.8 (7)	C79—C80—C85—C84	180.0 (7)
O11—La2—N3—C103	102.0 (6)	C80—C79—C86—C87	8.1 (16)
O4—La2—N3—C103	157.1 (6)	C78—C79—C86—C87	−171.0 (9)
O6—La2—N3—C103	−172.6 (6)	C79—C86—C87—C92	−165.9 (11)
O10—La2—N3—C103	−93.6 (6)	C79—C86—C87—C88	22.0 (18)
O8—La2—N3—C103	−36.1 (7)	C92—C87—C88—C89	0.7 (17)
O14—La2—N3—C103	49.5 (7)	C86—C87—C88—C89	172.8 (10)
N4—La2—N3—C103	1.1 (6)	C87—C88—C89—C90	1.8 (18)
O11—La2—N4—C93	112.2 (6)	C88—C89—C90—C91	−2 (2)
O4—La2—N4—C93	26.8 (8)	C89—C90—C91—C92	1 (2)
O6—La2—N4—C93	−171.5 (6)	C88—C87—C92—C91	−2.5 (19)
O10—La2—N4—C93	−110.1 (6)	C86—C87—C92—C91	−175.1 (11)
O8—La2—N4—C93	−31.7 (6)	C90—C91—C92—C87	2 (2)
O14—La2—N4—C93	40.9 (6)	C104—N4—C93—C94	0.7 (13)
N3—La2—N4—C93	179.6 (7)	La2—N4—C93—C94	178.8 (7)
O11—La2—N4—C104	−69.7 (6)	N4—C93—C94—C95	−0.7 (14)
O4—La2—N4—C104	−155.1 (6)	C93—C94—C95—C96	0.5 (15)
O6—La2—N4—C104	6.6 (7)	C94—C95—C96—C97	177.8 (9)
O10—La2—N4—C104	68.0 (6)	C94—C95—C96—C104	−0.3 (15)
O8—La2—N4—C104	146.4 (6)	C95—C96—C97—C98	−177.2 (10)
O14—La2—N4—C104	−141.0 (6)	C104—C96—C97—C98	0.9 (14)
N3—La2—N4—C104	−2.3 (6)	C96—C97—C98—C99	−1.9 (16)
La1—O2—C1—O1	−20.2 (14)	C97—C98—C99—C100	178.9 (10)
La1—O2—C1—C2	157.0 (6)	C97—C98—C99—C103	1.8 (15)
O1—C1—C2—C3	163.3 (8)	C103—C99—C100—C101	−1.8 (15)
O2—C1—C2—C3	−14.2 (11)	C98—C99—C100—C101	−178.8 (10)
O1—C1—C2—C10	−10.7 (11)	C99—C100—C101—C102	0.7 (15)
O2—C1—C2—C10	171.8 (7)	C103—N3—C102—C101	0.0 (13)
C10—C2—C3—C4	−1.3 (14)	La2—N3—C102—C101	179.0 (6)
C1—C2—C3—C4	−174.8 (8)	C100—C101—C102—N3	0.2 (14)
C2—C3—C4—C9	−35.5 (15)	C102—N3—C103—C104	179.0 (8)
C2—C3—C4—C5	146.3 (9)	La2—N3—C103—C104	0.0 (10)
C9—C4—C5—C6	2.3 (14)	C102—N3—C103—C99	−1.2 (12)
C3—C4—C5—C6	−179.4 (9)	La2—N3—C103—C99	179.8 (6)
C4—C5—C6—C7	−3.2 (15)	C100—C99—C103—N3	2.1 (14)
C5—C6—C7—C8	3.4 (17)	C98—C99—C103—N3	179.4 (8)
C6—C7—C8—C9	−2.6 (17)	C100—C99—C103—C104	−178.1 (9)
C5—C4—C9—C8	−1.5 (14)	C98—C99—C103—C104	−0.8 (13)
C3—C4—C9—C8	−179.7 (9)	C93—N4—C104—C103	−178.6 (8)
C7—C8—C9—C4	1.6 (15)	La2—N4—C104—C103	3.4 (10)
C3—C2—C10—C11	−75.4 (12)	C93—N4—C104—C96	−0.5 (12)
C1—C2—C10—C11	98.3 (10)	La2—N4—C104—C96	−178.6 (6)
C3—C2—C10—C15	101.9 (11)	N3—C103—C104—N4	−2.1 (12)
C1—C2—C10—C15	−84.4 (11)	C99—C103—C104—N4	178.0 (8)
C15—C10—C11—C12	1.1 (15)	N3—C103—C104—C96	179.7 (8)
C2—C10—C11—C12	178.4 (9)	C99—C103—C104—C96	−0.1 (13)
C10—C11—C12—C13	−2.1 (16)	C95—C96—C104—N4	0.3 (13)
C11—C12—C13—C14	2.2 (16)	C97—C96—C104—N4	−177.9 (8)
C12—C13—C14—C15	−1.3 (16)	C95—C96—C104—C103	178.4 (8)
C11—C10—C15—C14	−0.2 (14)	C97—C96—C104—C103	0.1 (13)
C2—C10—C15—C14	−177.6 (9)	C116—N1—C105—C106	1.3 (13)
C13—C14—C15—C10	0.3 (16)	La1—N1—C105—C106	179.2 (6)
La1—O13—C16—C17	149.5 (8)	N1—C105—C106—C107	0.0 (14)
La2—O4—C18—O3	73.6 (13)	C105—C106—C107—C108	−2.1 (13)
La2—O4—C18—C19	−104.6 (11)	C106—C107—C108—C116	2.9 (13)
La1—O3—C18—O4	−45.0 (10)	C106—C107—C108—C109	−177.5 (9)
La1—O3—C18—C19	133.2 (6)	C107—C108—C109—C110	−178.9 (9)
O4—C18—C19—C20	−6.6 (12)	C116—C108—C109—C110	0.7 (14)
O3—C18—C19—C20	175.1 (7)	C108—C109—C110—C111	1.2 (15)
O4—C18—C19—C27	172.9 (7)	C109—C110—C111—C112	177.6 (10)
O3—C18—C19—C27	−5.5 (11)	C109—C110—C111—C115	−1.7 (14)
C27—C19—C20—C21	−1.7 (15)	C115—C111—C112—C113	−1.0 (14)
C18—C19—C20—C21	177.7 (8)	C110—C111—C112—C113	179.7 (9)
C19—C20—C21—C22	159.8 (9)	C111—C112—C113—C114	0.5 (14)
C19—C20—C21—C26	−24.1 (15)	C115—N2—C114—C113	1.5 (12)
C26—C21—C22—C23	1.6 (15)	La1—N2—C114—C113	−177.3 (7)
C20—C21—C22—C23	178.0 (9)	C112—C113—C114—N2	−0.7 (14)
C21—C22—C23—C24	0.0 (17)	C114—N2—C115—C111	−2.2 (12)
C22—C23—C24—C25	−1.7 (17)	La1—N2—C115—C111	176.7 (6)
C23—C24—C25—C26	1.7 (17)	C114—N2—C115—C116	178.8 (7)
C24—C25—C26—C21	0.0 (16)	La1—N2—C115—C116	−2.4 (9)
C22—C21—C26—C25	−1.6 (15)	C112—C111—C115—N2	1.9 (13)
C20—C21—C26—C25	−177.8 (9)	C110—C111—C115—N2	−178.7 (8)
C20—C19—C27—C32	105.4 (10)	C112—C111—C115—C116	−179.0 (8)
C18—C19—C27—C32	−74.0 (9)	C110—C111—C115—C116	0.3 (12)
C20—C19—C27—C28	−72.2 (11)	C105—N1—C116—C108	−0.4 (12)
C18—C19—C27—C28	108.4 (9)	La1—N1—C116—C108	−178.3 (6)
C32—C27—C28—C29	−1.9 (12)	C105—N1—C116—C115	−179.6 (7)
C19—C27—C28—C29	175.8 (8)	La1—N1—C116—C115	2.5 (10)
C27—C28—C29—C30	0.4 (14)	C107—C108—C116—N1	−1.7 (12)
C28—C29—C30—C31	0.9 (14)	C109—C108—C116—N1	178.7 (7)
C29—C30—C31—C32	−0.7 (14)	C107—C108—C116—C115	177.5 (8)
C30—C31—C32—C27	−0.9 (13)	C109—C108—C116—C115	−2.1 (12)
C28—C27—C32—C31	2.2 (12)	N2—C115—C116—N1	−0.1 (11)
C19—C27—C32—C31	−175.6 (7)	C111—C115—C116—N1	−179.2 (7)
La1—O5—C33—O6	3.6 (14)	N2—C115—C116—C108	−179.3 (7)
La1—O5—C33—C34	−176.7 (6)	C111—C115—C116—C108	1.6 (12)