Hexa-μ-chlorido-hexa­chlorido(η⁶-hexa­methyl­benzene)trialuminium(III)lanthanum(III) benzene solvate

In the title compound, [Al₃LaCl₁₂(C₁₂H₁₈)]·C₆H₆, all mol­ecules are located on a mirror plane. Three chloridoaluminate groups and a hexa­methyl­benzene mol­ecule are bound to the central lanthanum(III) ion, forming a distorted penta­gonal bipyramid with the η⁶-coordinated arene located at the apical position. The hexa­methyl­benzene ligand disordered between two orientations in a 1:1 ratio is also involved in parallel-slipped π–π stacking inter­molecular inter­actions with a benzene solvent mol­ecule [centroid–centroid distance 3.612 (4) Å].

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.025
• wR factor = 0.063
• Data-to-parameter ratio = 22.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT213_ALERT_2_B Atom C5      has ADP max/min Ratio .............       4.30 prola
PLAT213_ALERT_2_B Atom C8      has ADP max/min Ratio .............       4.30 prola
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.77 Ratio
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  La1    --  Cl3     ..      12.22 su
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         C1

Alert level C
            Value of measurement temperature given =   173.000
            Value of melting point given =     0.000
PLAT213_ALERT_2_C Atom C4      has ADP max/min Ratio .............       3.10 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    --  Cl4     ..       6.83 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    --  Cl5     ..       9.28 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    --  Cl6     ..       9.17 su
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        La1
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       3.07
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc.
PLAT331_ALERT_2_C Small Average Phenyl  C-C Dist.  C9     -C10_b         1.36 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C1     -   C2     ...       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C1     -   C2_a   ...       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C2     -   C3     ...       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.37 Ang.
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.16 Ratio

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          6

   0 ALERT level A = In general: serious problem
   5 ALERT level B = Potentially serious problem
  13 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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S1. Comment

We have recently reported X-ray structural characterization of the first two lanthanum(III) chloroaluminate complexes with neutral arenes, [La(η⁶-C₆H₅Me)(AlCl₄)₃] and [La(η⁶-C₆Me₆)(AlCl₄)₃], as well as of the first lanthanum(III) chlorogallate complex, [La(η⁶-C₆Me₆)(GaCl₄)₃] (Filatov et al., 2008). The [La(η⁶-C₆Me₆)(AlCl₄)₃]^.0.5C₆H₆ complex crystallizes in the monoclinic P2₁/c space group with the β angle being close to 90° (β = 90.27°). We later found that under slightly different experimental conditions, namely at a higher temperature (285 versus 273 K), the lanthanum complex with hexamethylbenzene, [La(η⁶-C₆Me₆)(AlCl₄)₃]^.C₆H₆ (I), is crystallized.

The molecular structure of (I) is comprised of the three chloroaluminate groups and a hexamethylbenzene molecule bound to the central lanthanum(III) ion (Fig.1). The coordination polyhedron is a distorted pentagonal bipyramid with the η⁶-arene located at the apical position. The La–C bond distances span from 2.941 (4) to 2.965 (2) Å with a La–centroid distance being 2.613 (3) Å. These distances are comparable to those found in the previously reported complex [La(η⁶-C₆Me₆)(AlCl₄)₃]^.0.5C₆H₆ (II) [La—C 2.927 (7)–3.035 (7)Å; La–centroid 2.633 (7)Å].

In (I), coordinated hexamethylbenzene is engaged into π-π stacking interactions with a solvent benzene molecule. The intercentroid distance between their 6-membered rings is 3.612 (4) Å. The two ring planes are not parallel and the dihedral angle is 12.7° (Fig.2). In the above hemisolvate (II), on the contrary, both benzene faces are involved in π-π stacking interactions as benzene is sandwiched between two hexamethylbenzene molecules. The distance between the centroids of the hexamethylbenzene and benzene rings (3.688 (4) Å) is noticeably longer than that found in (I).

Related literature

For the previously characterized lanthanum chloroaluminate and chlorogallate complexes, see: Filatov et al. (2008). For a recent review of other lanthanide chloroaluminate complexes, see: Bochkarev (2002). For complexes of lanthanide chlorogallates with polycyclic aromatic systems, see: Gorlov et al. (2008).

S2. Experimental

LaCl₃ (100 mg, 0.41 mmol), AlCl₃ (163 mg, 1.22 mmol), hexamethylbenzene (66 mg, 0.41 mmol) and an excess of aluminium foil were placed into a Schlenk flask inside the glove box. Benzene (10 ml) was added to the flask and the mixture was refluxed for two hours. The LaCl₃, AlCl₃, and hexamethylbenzene dissolved completely to give a yellow solution. The solution was filtered while hot through a pad of Celite and then kept at 12°C under argon for 2 days to afford a yellow crystalline material. Yield: 240 mg (65%). IR data (cm^-1): 3091 (w), 3071 (w), 3036 (w), 1598 (m), 1531 (w), 1478 (m), 1423 (s), 1382 (m), 1332 (m), 1272 (m), 1180 (w), 1076 (w), 983 (w), 824 (w), 677 (s).

S3. Refinement

All C—H atoms were refined using the riding model approximation, with C—H = 0.95–0.98Å [U_iso(H) = 1.2 or 1.5Ueq(C)]. All other atoms were refined anisotropically. Large anisotropy of the carbon atoms of hexamethylbenzene suggests the presence of disorder. It was modeled over two rotational orientations in a 1:1 ratio. The C5 and C8 carbon atoms lie on a mirror plane and are constrained to have identical anisotropic displacement parameters (EADP command in the SHELXL realm).

Computing details

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2009).

Figures

	Fig. 1. A view of the molecular structure of (I), along with the atom numbering scheme [symmetry code: (i) x, -y + 1/2, z]. Displacement ellipsoids are drawn at the 30% probability level. Hydrogen atoms and disordered parts are omitted for clarity.
	Fig. 2. A view of the molecular structure of (I) showing π-π stacking interactions between coordinated C6Me6 and benzene rings.

Hexa-µ-chlorido-hexachlorido(η⁶- hexamethylbenzene)trialuminium(III)lanthanum(III) benzene solvate

Crystal data

[Al3LaCl12(C12H18)]·C6H6	F(000) = 1728
Mr = 885.62	Dx = 1.728 Mg m^−3
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 7019 reflections
a = 12.2127 (6) Å	θ = 2.5–28.2°
b = 16.4205 (8) Å	µ = 2.28 mm^−1
c = 16.9790 (8) Å	T = 173 K
V = 3404.9 (3) Å^3	Block, yellow
Z = 4	0.22 × 0.20 × 0.16 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer	4250 independent reflections
Radiation source: fine-focus sealed tube	3911 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.018
0.30° ω scans	θmax = 28.3°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2003)	h = −15→16
Tmin = 0.613, Tmax = 0.697	k = −21→21
28535 measured reflections	l = −22→22

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.063	H-atom parameters not refined
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0304P)^2 + 3.1621P] where P = (Fo^2 + 2Fc^2)/3
4250 reflections	(Δ/σ)max < 0.001
189 parameters	Δρmax = 0.89 e Å^−3
0 restraints	Δρmin = −0.99 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.106393 (12)	0.2500	0.425620 (9)	0.02758 (6)
Al1	0.09537 (6)	0.04272 (4)	0.32343 (5)	0.04146 (16)
Al2	−0.20200 (8)	0.2500	0.41914 (6)	0.0403 (2)
Cl1	−0.02765 (6)	0.03298 (4)	0.23836 (5)	0.06224 (19)
Cl2	0.18966 (7)	−0.06204 (4)	0.34109 (6)	0.0684 (2)
Cl3	0.19872 (5)	0.14875 (3)	0.30139 (3)	0.04206 (13)
Cl4	0.02586 (5)	0.08226 (4)	0.43571 (3)	0.04489 (14)
Cl5	−0.09121 (6)	0.2500	0.52121 (4)	0.04250 (18)
Cl6	−0.08346 (6)	0.2500	0.32208 (4)	0.03682 (16)
Cl7	−0.29273 (6)	0.14181 (5)	0.41927 (4)	0.05841 (18)
C1	0.3384 (3)	0.2500	0.4729 (2)	0.0515 (10)
C2	0.3003 (3)	0.17691 (17)	0.50333 (19)	0.0609 (8)
C3	0.2212 (3)	0.1777 (3)	0.5621 (2)	0.0823 (13)
C4	0.1820 (3)	0.2500	0.5901 (2)	0.096 (3)
C5	0.4271 (4)	0.2500	0.4107 (3)	0.194 (5)
H5A	0.4789	0.2943	0.4214	0.291*	0.50
H5B	0.3940	0.2580	0.3587	0.291*	0.50
H5C	0.4659	0.1978	0.4118	0.291*	0.50
C6	0.3258 (8)	0.0879 (6)	0.4928 (7)	0.087 (3)	0.50
H6A	0.3781	0.0706	0.5332	0.130*	0.50
H6B	0.3577	0.0791	0.4405	0.130*	0.50
H6C	0.2583	0.0561	0.4977	0.130*	0.50
C7	0.1582 (8)	0.1206 (6)	0.6166 (5)	0.093 (3)	0.50
H7A	0.1812	0.1299	0.6711	0.139*	0.50
H7B	0.1735	0.0640	0.6019	0.139*	0.50
H7C	0.0796	0.1312	0.6117	0.139*	0.50
C6X	0.3773 (8)	0.1077 (7)	0.4617 (6)	0.084 (4)	0.50
H6X1	0.4398	0.0956	0.4959	0.126*	0.50
H6X2	0.4039	0.1281	0.4109	0.126*	0.50
H6X3	0.3344	0.0581	0.4533	0.126*	0.50
C7X	0.2146 (9)	0.0787 (5)	0.5824 (6)	0.092 (3)	0.50
H7X1	0.1425	0.0659	0.6045	0.137*	0.50
H7X2	0.2716	0.0646	0.6206	0.137*	0.50
H7X3	0.2257	0.0473	0.5339	0.137*	0.50
C8	0.1026 (4)	0.2500	0.6586 (3)	0.194 (5)
H8A	0.0691	0.1960	0.6636	0.291*	0.50
H8B	0.0454	0.2907	0.6494	0.291*	0.50
H8C	0.1420	0.2633	0.7072	0.291*	0.50
C9	0.5948 (4)	0.2500	0.6119 (3)	0.088 (2)
H9	0.6600	0.2500	0.5814	0.106*
C10	0.5464 (3)	0.1771 (2)	0.6345 (2)	0.0750 (10)
H10	0.5779	0.1265	0.6193	0.090*
C11	0.4547 (3)	0.1790 (2)	0.6780 (2)	0.0679 (9)
H11	0.4212	0.1293	0.6936	0.082*
C12	0.4094 (3)	0.2500	0.7000 (3)	0.0646 (12)
H12	0.3449	0.2500	0.7312	0.077*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.02175 (8)	0.03570 (10)	0.02528 (9)	0.000	0.00028 (5)	0.000
Al1	0.0428 (4)	0.0342 (3)	0.0475 (4)	−0.0003 (3)	−0.0093 (3)	−0.0026 (3)
Al2	0.0247 (4)	0.0577 (6)	0.0384 (5)	0.000	0.0008 (4)	0.000
Cl1	0.0664 (4)	0.0525 (4)	0.0678 (4)	0.0015 (3)	−0.0311 (3)	−0.0082 (3)
Cl2	0.0666 (4)	0.0438 (3)	0.0947 (6)	0.0136 (3)	−0.0232 (4)	−0.0036 (4)
Cl3	0.0434 (3)	0.0424 (3)	0.0404 (3)	−0.0030 (2)	0.0099 (2)	−0.0068 (2)
Cl4	0.0460 (3)	0.0431 (3)	0.0456 (3)	−0.0101 (2)	0.0013 (2)	0.0080 (2)
Cl5	0.0288 (3)	0.0687 (5)	0.0300 (3)	0.000	0.0031 (3)	0.000
Cl6	0.0277 (3)	0.0530 (4)	0.0298 (3)	0.000	−0.0025 (3)	0.000
Cl7	0.0418 (3)	0.0720 (5)	0.0615 (4)	−0.0171 (3)	0.0028 (3)	−0.0021 (3)
C1	0.0227 (14)	0.099 (3)	0.0325 (16)	0.000	−0.0035 (12)	0.000
C2	0.0654 (17)	0.0486 (14)	0.0688 (18)	0.0173 (13)	−0.0438 (16)	−0.0151 (13)
C3	0.071 (2)	0.114 (3)	0.0617 (19)	−0.055 (2)	−0.0416 (18)	0.055 (2)
C4	0.0269 (19)	0.237 (9)	0.0259 (18)	0.000	−0.0009 (14)	0.000
C5	0.0328 (17)	0.507 (15)	0.0414 (19)	0.000	0.0080 (14)	0.000
C6	0.082 (7)	0.060 (5)	0.118 (9)	0.034 (5)	−0.054 (6)	−0.025 (5)
C7	0.099 (7)	0.110 (7)	0.070 (5)	−0.061 (6)	−0.042 (5)	0.058 (5)
C6X	0.075 (6)	0.089 (8)	0.087 (7)	0.044 (6)	−0.037 (5)	−0.040 (6)
C7X	0.111 (8)	0.067 (5)	0.097 (7)	−0.032 (5)	−0.053 (6)	0.048 (5)
C8	0.0328 (17)	0.507 (15)	0.0414 (19)	0.000	0.0080 (14)	0.000
C9	0.052 (3)	0.172 (7)	0.041 (2)	0.000	0.0042 (19)	0.000
C10	0.081 (2)	0.080 (2)	0.0634 (19)	0.029 (2)	−0.0217 (18)	−0.0169 (17)
C11	0.070 (2)	0.069 (2)	0.0653 (19)	−0.0142 (17)	−0.0277 (16)	0.0189 (16)
C12	0.039 (2)	0.105 (4)	0.049 (2)	0.000	−0.0136 (17)	0.000

Geometric parameters (Å, º)

La1—C1	2.945 (3)	C3—C7X	1.663 (8)
La1—C2	2.965 (2)	C4—C3^i	1.366 (5)
La1—C3	2.957 (3)	C4—C8	1.514 (6)
La1—C4	2.941 (4)	C5—H5A	0.9800
La1—Cl3	2.9128 (5)	C5—H5B	0.9800
La1—Cl4	2.9298 (6)	C5—H5C	0.9800
La1—Cl5	2.9083 (7)	C8—H8A	0.9800
La1—Cl6	2.9097 (7)	C8—H8B	0.9800
La1—Cg1	2.613 (3)	C8—H8C	0.9800
Cg1—Cg2	3.612 (4)	C6—H6A	0.9800
La1—Cl3^i	2.9128 (5)	C6—H6B	0.9800
La1—Cl4^i	2.9298 (6)	C6—H6C	0.9800
La1—C3^i	2.957 (3)	C7—H7A	0.9800
La1—C2^i	2.965 (2)	C7—H7B	0.9800
Al1—Cl1	2.0902 (10)	C7—H7C	0.9800
Al1—Cl2	2.0918 (10)	C6X—H6X1	0.9800
Al1—Cl3	2.1828 (9)	C6X—H6X2	0.9800
Al1—Cl4	2.1855 (10)	C6X—H6X3	0.9800
Al2—Cl7	2.0937 (9)	C7X—H7X1	0.9800
Al2—Cl7^i	2.0937 (9)	C7X—H7X2	0.9800
Al2—Cl6	2.1936 (12)	C7X—H7X3	0.9800
Al2—Cl5	2.1987 (12)	C9—C10	1.389 (5)
C1—C2^i	1.387 (4)	C9—C10^i	1.389 (5)
C1—C2	1.387 (4)	C9—H9	0.9500
C1—C5	1.513 (6)	C10—C11	1.343 (5)
C2—C3	1.389 (5)	C10—H10	0.9500
C2—C6	1.505 (10)	C11—C12	1.344 (4)
C2—C6X	1.635 (10)	C11—H11	0.9500
C3—C4	1.366 (5)	C12—C11^i	1.344 (4)
C3—C7	1.525 (7)	C12—H12	0.9500
Cl5—La1—Cl6	71.09 (2)	Cl7—Al2—Cl5	108.96 (4)
Cl5—La1—Cl3	136.497 (15)	Cl7^i—Al2—Cl5	108.96 (4)
Cl6—La1—Cl3	82.586 (17)	Cl6—Al2—Cl5	100.72 (5)
Cl5—La1—Cl3^i	136.497 (14)	Al1—Cl3—La1	96.16 (3)
Cl6—La1—Cl3^i	82.586 (17)	Al1—Cl4—La1	95.61 (3)
Cl3—La1—Cl3^i	69.61 (2)	Al2—Cl5—La1	94.06 (4)
Cl5—La1—Cl4	71.868 (13)	Al2—Cl6—La1	94.13 (4)
Cl6—La1—Cl4	76.576 (13)	C2^i—C1—C2	119.9 (4)
Cl3—La1—Cl4	68.636 (17)	C2^i—C1—C5	119.99 (18)
Cl3^i—La1—Cl4	135.147 (17)	C2—C1—C5	119.99 (18)
Cl5—La1—Cl4^i	71.868 (13)	C2^i—C1—La1	77.23 (17)
Cl6—La1—Cl4^i	76.576 (13)	C2—C1—La1	77.23 (17)
Cl3—La1—Cl4^i	135.147 (17)	C5—C1—La1	119.9 (3)
Cl3^i—La1—Cl4^i	68.636 (17)	C1—C2—C3	119.5 (3)
Cl4—La1—Cl4^i	140.15 (3)	C1—C2—C6	136.6 (6)
Cl5—La1—C4	74.37 (8)	C3—C2—C6	103.8 (6)
Cl6—La1—C4	145.46 (8)	C1—C2—La1	75.63 (16)
Cl3—La1—C4	124.47 (6)	C3—C2—La1	76.11 (16)
Cl3^i—La1—C4	124.47 (6)	C6—C2—La1	120.4 (4)
Cl4—La1—C4	92.86 (3)	C6X—C2—La1	123.2 (4)
Cl4^i—La1—C4	92.86 (3)	C4—C3—C2	120.1 (3)
Cl5—La1—C1	130.25 (7)	C4—C3—C7	98.4 (6)
Cl6—La1—C1	158.66 (7)	C2—C3—C7	141.3 (6)
Cl3—La1—C1	79.93 (6)	C4—C3—La1	76.0 (2)
Cl3^i—La1—C1	79.93 (6)	C2—C3—La1	76.76 (15)
Cl4—La1—C1	107.879 (16)	C7—C3—La1	118.9 (3)
Cl4^i—La1—C1	107.879 (17)	C3^i—C4—C3	120.8 (4)
C4—La1—C1	55.88 (10)	C3^i—C4—C8	119.5 (2)
Cl5—La1—C3^i	87.49 (8)	C3—C4—C8	119.5 (2)
Cl6—La1—C3^i	148.34 (6)	C3^i—C4—La1	77.2 (2)
Cl3—La1—C3^i	127.81 (6)	C3—C4—La1	77.2 (2)
Cl3^i—La1—C3^i	98.90 (10)	C8—C4—La1	121.9 (3)
Cl4—La1—C3^i	119.39 (10)	C1—C5—H5A	109.5
Cl4^i—La1—C3^i	74.68 (7)	C1—C5—H5B	109.5
C4—La1—C3^i	26.77 (10)	H5A—C5—H5B	109.5
C1—La1—C3^i	47.94 (8)	C1—C5—H5C	109.5
Cl5—La1—C3	87.49 (8)	H5A—C5—H5C	109.5
Cl6—La1—C3	148.34 (6)	H5B—C5—H5C	109.5
Cl3—La1—C3	98.90 (10)	C4—C8—H8A	109.5
Cl3^i—La1—C3	127.81 (6)	C4—C8—H8B	109.5
Cl4—La1—C3	74.68 (7)	H8A—C8—H8B	109.5
Cl4^i—La1—C3	119.39 (10)	C4—C8—H8C	109.5
C4—La1—C3	26.77 (10)	H8A—C8—H8C	109.5
C1—La1—C3	47.94 (8)	H8B—C8—H8C	109.5
C3^i—La1—C3	47.35 (17)	C2—C6—H6A	109.5
Cl5—La1—C2^i	114.49 (8)	C2—C6—H6B	109.5
Cl6—La1—C2^i	154.88 (5)	C2—C6—H6C	109.5
Cl3—La1—C2^i	104.12 (8)	C3—C7—H7A	109.5
Cl3^i—La1—C2^i	77.41 (6)	C3—C7—H7B	109.5
Cl4—La1—C2^i	128.51 (5)	C3—C7—H7C	109.5
Cl4^i—La1—C2^i	82.04 (6)	C2—C6X—H6X1	109.5
C4—La1—C2^i	47.68 (9)	C2—C6X—H6X2	109.5
C1—La1—C2^i	27.14 (7)	H6X1—C6X—H6X2	109.5
C3^i—La1—C2^i	27.13 (10)	C2—C6X—H6X3	109.5
C3—La1—C2^i	55.61 (8)	H6X1—C6X—H6X3	109.5
Cl5—La1—C2	114.49 (8)	H6X2—C6X—H6X3	109.5
Cl6—La1—C2	154.88 (5)	C3—C7X—H7X1	109.5
Cl3—La1—C2	77.41 (6)	C3—C7X—H7X2	109.5
Cl3^i—La1—C2	104.12 (8)	H7X1—C7X—H7X2	109.5
Cl4—La1—C2	82.04 (6)	C3—C7X—H7X3	109.5
Cl4^i—La1—C2	128.51 (5)	H7X1—C7X—H7X3	109.5
C4—La1—C2	47.68 (9)	H7X2—C7X—H7X3	109.5
C1—La1—C2	27.14 (7)	C10—C9—C10^i	119.1 (5)
C3^i—La1—C2	55.61 (8)	C10—C9—H9	120.5
C3—La1—C2	27.13 (10)	C10^i—C9—H9	120.5
C2^i—La1—C2	47.76 (11)	C11—C10—C9	119.2 (4)
Cl1—Al1—Cl2	115.58 (4)	C11—C10—H10	120.4
Cl1—Al1—Cl3	110.99 (4)	C9—C10—H10	120.4
Cl2—Al1—Cl3	111.24 (4)	C10—C11—C12	121.1 (4)
Cl1—Al1—Cl4	110.26 (4)	C10—C11—H11	119.5
Cl2—Al1—Cl4	109.45 (5)	C12—C11—H11	119.5
Cl3—Al1—Cl4	97.89 (3)	C11^i—C12—C11	120.5 (5)
Cl7—Al2—Cl7^i	116.10 (6)	C11^i—C12—H12	119.8
Cl7—Al2—Cl6	110.49 (4)	C11—C12—H12	119.8
Cl7^i—Al2—Cl6	110.49 (4)

Symmetry code: (i) x, −y+1/2, z.