(trans-Cinnam­aldehyde)­tris(2,6-di­phenyl­phenoxy)­aluminium

The title compound, [Al(C₁₈H₁₃O)₃(C₉H₈O)], crystallizes with three mol­ecules in the asymmetric unit of the chiral trigonal space group P3₂. The three mol­ecules have essentially the same geometry, and are related by non-crystallographic translation and other pseudosymmetry, all being in approx­imately the same orientation. Aluminium has a typical tetrahedral coordination. Al-O bond lengths range from 1.695 (3) to 1.716 (3) Å for the bulky substituted phenoxy ligands, and from 1.830 (4) to 1.841 (4) Å for the neutral trans-cinnam­aldehyde ligands.

Key indicators

• Single-crystal X-ray study
• T = 160 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.068
• wR factor = 0.228
• Data-to-parameter ratio = 10.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
          Tmin and Tmax reported:      0.500     0.700
          Tmin' and Tmax expected:      0.666     0.701
          RR' =      0.752
          Please check that your absorption correction is appropriate.

RADNW_01  Alert C The radiation wavelength lies outside the expected range
          for the supplied radiation type. Expected range 1.54175-1.54180
          Wavelength given =    1.54184

PLAT_213  Alert C Atom C58C    has ADP max/min Ratio ...........       3.60 prolate

General Notes



REFLT_03
         From the CIF: _diffrn_reflns_theta_max           67.57
         From the CIF: _reflns_number_total              19761
         From the CIF: _diffrn_reflns_limit_ max hkl   16.   18.   54.
         From the CIF: _diffrn_reflns_limit_ min hkl  -15.  -18.  -57.
         TEST1: Expected hkl limits for theta max
         Calculated maximum hkl   18.   18.   59.
         Calculated minimum hkl  -18.  -18.  -59.
          ALERT: Expected hkl max differ from CIF values

REFLT_03
         From the CIF: _diffrn_reflns_theta_max           67.57
         From the CIF: _reflns_number_total              19761
         Count of symmetry unique reflns        12798
         Completeness (_total/calc)            154.41%
         TEST3: Check Friedels for noncentro structure
         Estimate of Friedel pairs measured      6963
         Fraction of Friedel pairs measured     0.544
         Are heavy atom types Z>Si present           no
          Please check that the estimate of the number of Friedel pairs is
          correct. If it is not, please give the correct count in the
          _publ_section_exptl_refinement section of the submitted CIF.


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check

---

S1. Comment

While soft organometallic reagents have frequently been employed to effect conjugate addition to α,β-unsaturated ketones, organolithium species have generally been found to be too nucleophilic for this purpose (Roux et al., 1981). Oxophilic Lewis acids in general (see, for example, Volkmann et al., 1983; Yamamoto, 1986), and sterically congested organoaluminium species in particular (Maruoka et al., 1985) have been developed in consequence. More recently, the organoaluminium species methylaluminium bis(di-2,6-tert-butyl-4-alkylphenoxide (alkyl = Me or ^tBu) have been found to aid conjugate addition to α,β-unsaturated ketones (Shreve et al., 1988; Maruoka et al., 1988). Lately, however, the regioselective conjugate addition of organolithium species to aromatic aldehydes has been effected by the employment of tris(di-2,6-tert-butyl)phenoxyaluminium (Maruoka et al., 1995); it is presumed (Maruoka et al., 1994) that this reaction occurs via a 1:1 complex between the aldehyde and the organoaluminium species. Such adducts of aldehydes have not previously been structurally characterized, although they are known for ketones (Marukoa et al., 1994). We report here the crystal structure of the 1:1 complex, (I), of trans-cinnamaldehyde and the related reagent tris(2,6-diphenylphenoxy)aluminium.

There are three independent molecules in the asymmetric unit, shown in Fig. 1. Differences between them are minor, consisting mainly of slightly different dihedral angles among aromatic ring planes within the aryloxy ligands and somewhat different orientations of the cinnamaldehyde ligand. Dihedral angles between the central and outer rings for the nine independent aryloxy ligands range from 36.3 (2) to 52.4 (2)°. Those between the cinnamaldehyde phenyl ring and its corresponding chain substituent are 18.3 (5), 19.6 (5) and 22.6 (5)° in the three independent molecules.

Aluminium has a typical tetrahedral coordination, the range of O–Al–O bond angles being 104.31 (15)–114.51 (16)°. Angles at O atoms are generally rather wide, ranging from 136.6 (3) to 153.3 (3)° for the aryloxy ligands and from 137.3 (3) to 145.4 (5)° for cinnamaldehyde, presumably because of the steric congestion. The only other reported structure of a complex of the type Al(RCHO)(OR')₃ has the same aryloxy ligands, together with benzaldehyde, and here the angles at oxygen are similar: 136.1, 144.1, 149.6, and 135.7°; the structure has not been published in a journal, but is deposited in the Cambridge Structural Database (CSD refcode QULSUQ; Saito et al., 2001). The CSD (Allen, 2002) contains only three other complexes of aluminium with aldehyde ligands (Power et al., 1990; Ko et al., 2000; Liu et al., 2002). Al—O(aldehyde) distances range from 1.856 to 2.018 Å, because Al is variously four- or five-coordinate; Al—O—C angles at the aldehyde O atom lie within the relatively small range 127.1–135.7°.

Ignoring the cinnamaldehyde ligand, each of the independent molecules has approximate threefold rotation symmetry, with the aromatic substituents arranged like three propeller blades; in each case, the approximate rotation axis lies along the crystallographic c axis (Fig. 2). Indeed, the structure has a high degree of pseudosymmetry. The three independent molecules have very similar orientations, the main differences being in the disposition of the cinnamaldehyde ligand. Moreover, the cluster of three molecules shown in Fig. 2 has approximate 3₂ screw-axis symmetry within itself (and continuing to clusters related by genuine crystallographic symmetry), the approximate screw translation being one-ninth of the unit cell c axis. Propellers are chiral, and all the molecules in the crystal structure have the same chirality. The space group itself is one of an enantiomorphous pair (together with its opposite hand, P3₁), and the chirality of this particular crystal has been established by refinement of the Flack (1983) parameter. It is likely, however, that the sample as a whole is racemic, consisting of crystals of opposite chirality in equal amounts.

S2. Experimental

Trimethylaluminium (0.25 ml, 0.5 mmol) was added to 2,6-diphenylphenol (0.370 g, 1.5 mmol) in CH₂Cl₂ (4 ml) at room temperature. The resultant yellow solution was stirred for 10 min, then trans-cinnamaldehyde (0.06 ml, 0.5 mmol) was added, affording an orange suspension. Further addition of CH₂Cl₂ (10 ml) resulted in nearly complete dissolution. After filtering, the orange solution was stored at room temperature for 2 d, and orange blocks of the 1:1 title adduct were formed. Yield 0.110 g (25%); m.p. 549–550 K. ¹H NMR (400 MHz, CD₂Cl₂): δ 7.68–6.88 (m, 44H, Ar), 6.70 (d, 1H, ³J_HH = 15.9 Hz, CHPh), 6.30 (d, 1H, ³J_HH = 8.5 Hz, OCH), 6.35 (dd, 1H, ³J_HH = 15.9 and 8.5 Hz, OCCH).

S3. Refinement

H atoms were positioned geometrically and refined as riding model, with C—H = 0.95 Å and with U_iso = 1.2U_eq(C).

Computing details

Data collection: DIF4 (Stoe & Cie, 1988); cell refinement: DIF4; data reduction: local programs; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

Figures

	Fig. 1. The structure of the three independent molecules of (I), shown with 50% probability ellipsoids. The view direction is the same for all three molecules. Only one molecule is labelled; the others follow a similar scheme. H atoms have been omitted.
	Fig. 2. The three molecules in the asymmetric unit, seen down the c axis, showing the pseudosymmetry. H atoms have been omitted.

(trans-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium

Crystal data

[Al(C18H13O)3(C9H8O)]	Dx = 1.257 Mg m^−3
Mr = 894.99	Cu Kα radiation, λ = 1.54184 Å
Trigonal, P32	Cell parameters from 62 reflections
a = 15.7741 (10) Å	θ = 21.1–25.0°
c = 49.394 (5) Å	µ = 0.77 mm^−1
V = 10643.7 (14) Å^3	T = 160 K
Z = 9	Cuboid, orange
F(000) = 4230	0.46 × 0.46 × 0.46 mm

Data collection

Stoe–Siemens four-circle diffractometer	11027 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.042
Graphite monochromator	θmax = 67.6°, θmin = 2.7°
ω/θ scans with on–line profile fitting (Clegg, 1981)	h = −15→16
Absorption correction: ψ scan (SHELXTL; Sheldrick, 2001)	k = −18→18
Tmin = 0.50, Tmax = 0.70	l = −57→54
19969 measured reflections	5 standard reflections every 60 min
19761 independent reflections	intensity decay: 3%

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.068	w = 1/[σ^2(Fo^2) + (0.1038P)^2 + 10.8079P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.228	(Δ/σ)max = 0.010
S = 1.02	Δρmax = 0.68 e Å^−3
19761 reflections	Δρmin = −0.34 e Å^−3
1838 parameters	Extinction correction: SHELXTL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.000066 (15)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983), 7342 Friedel pairs
Secondary atom site location: difference Fourier map	Absolute structure parameter: 0.00 (4)

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

	x	y	z	Uiso*/Ueq
Al1	1.00714 (10)	1.01396 (9)	0.32693 (3)	0.0147 (3)
O1A	1.0783 (2)	1.1303 (2)	0.33938 (6)	0.0185 (7)
O2A	0.8856 (2)	0.9648 (2)	0.33263 (7)	0.0239 (7)
O3A	1.0508 (2)	0.9399 (2)	0.33752 (6)	0.0192 (7)
O4A	1.0265 (2)	1.0229 (2)	0.29004 (7)	0.0233 (7)
C1A	1.1633 (3)	1.2110 (3)	0.33248 (9)	0.0180 (10)
C2A	1.2484 (4)	1.2359 (3)	0.34805 (10)	0.0219 (10)
C3A	1.3367 (4)	1.3183 (4)	0.34037 (11)	0.0291 (11)
H3A	1.3945	1.3351	0.3504	0.035*
C4A	1.3417 (4)	1.3755 (4)	0.31861 (11)	0.0308 (12)
H4A	1.4022	1.4310	0.3137	0.037*
C5A	1.2580 (4)	1.3514 (4)	0.30410 (10)	0.0275 (11)
H5A	1.2618	1.3917	0.2893	0.033*
C6A	1.1680 (3)	1.2697 (3)	0.31042 (9)	0.0199 (10)
C7A	1.2452 (4)	1.1775 (3)	0.37191 (10)	0.0238 (11)
C8A	1.3153 (4)	1.1491 (4)	0.37546 (11)	0.0338 (13)
H8A	1.3637	1.1650	0.3619	0.041*
C9A	1.3157 (5)	1.0981 (4)	0.39833 (12)	0.0409 (15)
H9A	1.3647	1.0803	0.4004	0.049*
C10A	1.2449 (5)	1.0731 (4)	0.41803 (12)	0.0393 (14)
H10A	1.2447	1.0379	0.4336	0.047*
C11A	1.1740 (4)	1.0999 (4)	0.41483 (12)	0.0389 (14)
H11A	1.1255	1.0833	0.4284	0.047*
C12A	1.1733 (4)	1.1509 (3)	0.39185 (10)	0.0260 (11)
H12A	1.1237	1.1677	0.3897	0.031*
C13A	1.0802 (3)	1.2452 (3)	0.29364 (10)	0.0221 (10)
C14A	0.9874 (3)	1.2100 (4)	0.30531 (10)	0.0247 (11)
H14A	0.9807	1.2046	0.3244	0.030*
C15A	0.9051 (4)	1.1828 (4)	0.28929 (11)	0.0343 (13)
H15A	0.8427	1.1588	0.2975	0.041*
C16A	0.9146 (4)	1.1911 (4)	0.26122 (11)	0.0385 (14)
H16A	0.8585	1.1713	0.2502	0.046*
C17A	1.0062 (4)	1.2283 (4)	0.24952 (11)	0.0369 (14)
H17A	1.0132	1.2362	0.2304	0.044*
C18A	1.0880 (4)	1.2541 (4)	0.26551 (10)	0.0263 (11)
H18A	1.1502	1.2782	0.2572	0.032*
C19A	0.7983 (3)	0.9570 (3)	0.32826 (9)	0.0173 (10)
C20A	0.7693 (3)	1.0126 (3)	0.34472 (9)	0.0203 (10)
C21A	0.6805 (4)	1.0077 (4)	0.33920 (10)	0.0261 (11)
H21A	0.6614	1.0456	0.3498	0.031*
C22A	0.6190 (4)	0.9493 (4)	0.31871 (11)	0.0307 (12)
H22A	0.5589	0.9475	0.3152	0.037*
C23A	0.6470 (4)	0.8932 (4)	0.30332 (10)	0.0251 (11)
H23A	0.6045	0.8519	0.2895	0.030*
C24A	0.7358 (3)	0.8960 (3)	0.30770 (10)	0.0216 (10)
C25A	0.8310 (4)	1.0726 (3)	0.36734 (9)	0.0218 (10)
C26A	0.8687 (4)	1.0341 (4)	0.38650 (10)	0.0266 (11)
H26A	0.8561	0.9688	0.3846	0.032*
C27A	0.9240 (4)	1.0908 (4)	0.40799 (11)	0.0344 (13)
H27A	0.9488	1.0635	0.4207	0.041*
C28A	0.9442 (4)	1.1857 (4)	0.41153 (11)	0.0405 (14)
H28A	0.9820	1.2234	0.4265	0.049*
C29A	0.9082 (4)	1.2250 (4)	0.39274 (11)	0.0391 (14)
H29A	0.9217	1.2905	0.3947	0.047*
C30A	0.8521 (4)	1.1687 (4)	0.37090 (11)	0.0324 (12)
H30A	0.8279	1.1966	0.3582	0.039*
C31A	0.7620 (3)	0.8352 (3)	0.29027 (9)	0.0202 (10)
C32A	0.8126 (3)	0.7907 (3)	0.30080 (10)	0.0240 (11)
H32A	0.8274	0.7959	0.3196	0.029*
C33A	0.8413 (4)	0.7389 (4)	0.28394 (11)	0.0298 (12)
H33A	0.8769	0.7103	0.2912	0.036*
C34A	0.8183 (4)	0.7288 (4)	0.25658 (12)	0.0358 (13)
H34A	0.8384	0.6937	0.2451	0.043*
C35A	0.7658 (4)	0.7703 (4)	0.24617 (11)	0.0364 (14)
H35A	0.7485	0.7624	0.2275	0.044*
C36A	0.7384 (4)	0.8236 (4)	0.26285 (10)	0.0284 (11)
H36A	0.7031	0.8524	0.2555	0.034*
C37A	1.0465 (3)	0.8547 (3)	0.33140 (9)	0.0167 (9)
C38A	1.1027 (3)	0.8485 (3)	0.31006 (9)	0.0200 (10)
C39A	1.0925 (4)	0.7565 (4)	0.30458 (10)	0.0232 (10)
H39A	1.1283	0.7506	0.2900	0.028*
C40A	1.0327 (4)	0.6746 (4)	0.31958 (10)	0.0285 (12)
H40A	1.0274	0.6134	0.3154	0.034*
C41A	0.9800 (4)	0.6827 (4)	0.34097 (10)	0.0257 (11)
H41A	0.9383	0.6262	0.3513	0.031*
C42A	0.9870 (3)	0.7716 (3)	0.34749 (9)	0.0202 (10)
C43A	1.1690 (3)	0.9346 (3)	0.29308 (10)	0.0219 (10)
C44A	1.1765 (4)	0.9219 (4)	0.26536 (10)	0.0258 (11)
H44A	1.1394	0.8589	0.2574	0.031*
C45A	1.2389 (4)	1.0025 (4)	0.24926 (10)	0.0303 (12)
H45A	1.2458	0.9933	0.2306	0.036*
C46A	1.2903 (4)	1.0952 (4)	0.26038 (11)	0.0335 (13)
H46A	1.3302	1.1499	0.2492	0.040*
C47A	1.2836 (4)	1.1083 (4)	0.28794 (11)	0.0311 (12)
H47A	1.3192	1.1719	0.2956	0.037*
C48A	1.2246 (3)	1.0279 (4)	0.30449 (10)	0.0243 (11)
H48A	1.2222	1.0367	0.3234	0.029*
C49A	0.9346 (3)	0.7787 (3)	0.37159 (9)	0.0205 (10)
C50A	0.8348 (3)	0.7133 (4)	0.37543 (10)	0.0258 (11)
H50A	0.7991	0.6667	0.3617	0.031*
C51A	0.7863 (4)	0.7146 (4)	0.39878 (11)	0.0319 (12)
H51A	0.7186	0.6692	0.4011	0.038*
C52A	0.8381 (4)	0.7830 (4)	0.41854 (11)	0.0326 (12)
H52A	0.8058	0.7846	0.4346	0.039*
C53A	0.9376 (4)	0.8499 (4)	0.41512 (10)	0.0306 (12)
H53A	0.9727	0.8965	0.4289	0.037*
C54A	0.9850 (4)	0.8485 (4)	0.39178 (10)	0.0265 (11)
H54A	1.0524	0.8952	0.3894	0.032*
C55A	0.9779 (3)	1.0143 (3)	0.26932 (10)	0.0253 (10)
H55A	0.9151	1.0082	0.2710	0.030*
C56A	1.0148 (4)	1.0135 (4)	0.24351 (11)	0.0262 (11)
H56A	1.0802	1.0265	0.2416	0.031*
C57A	0.9581 (4)	0.9943 (4)	0.22133 (10)	0.0299 (11)
H57A	0.8962	0.9900	0.2237	0.036*
C58A	0.9836 (4)	0.9798 (4)	0.19414 (11)	0.0254 (11)
C59A	0.9113 (4)	0.9350 (4)	0.17480 (11)	0.0381 (13)
H59A	0.8463	0.9194	0.1790	0.046*
C60A	0.9313 (4)	0.9123 (4)	0.14930 (11)	0.0379 (13)
H60A	0.8799	0.8773	0.1367	0.046*
C61A	1.0268 (4)	0.9411 (4)	0.14247 (11)	0.0353 (12)
H61A	1.0413	0.9267	0.1250	0.042*
C62A	1.1012 (4)	0.9908 (4)	0.16087 (11)	0.0381 (13)
H62A	1.1669	1.0115	0.1558	0.046*
C63A	1.0812 (4)	1.0109 (4)	0.18658 (11)	0.0337 (12)
H63A	1.1330	1.0454	0.1991	0.040*
Al2	0.65595 (11)	0.32158 (9)	0.54898 (3)	0.0158 (3)
O1B	0.7300 (2)	0.4397 (2)	0.55858 (6)	0.0213 (7)
O2B	0.5404 (2)	0.2776 (2)	0.56144 (6)	0.0198 (7)
O3B	0.7035 (2)	0.2480 (2)	0.55601 (7)	0.0255 (8)
O4B	0.6453 (3)	0.3282 (3)	0.51225 (8)	0.0346 (10)
C1B	0.8137 (3)	0.5234 (3)	0.55318 (9)	0.0164 (9)
C2B	0.8972 (3)	0.5477 (3)	0.56933 (9)	0.0193 (10)
C3B	0.9853 (3)	0.6326 (4)	0.56307 (10)	0.0260 (11)
H3B	1.0422	0.6486	0.5734	0.031*
C4B	0.9913 (3)	0.6938 (4)	0.54208 (10)	0.0268 (11)
H4B	1.0515	0.7515	0.5382	0.032*
C5B	0.9084 (4)	0.6700 (4)	0.52676 (10)	0.0253 (11)
H5B	0.9128	0.7124	0.5125	0.030*
C6B	0.8182 (3)	0.5849 (3)	0.53184 (9)	0.0192 (10)
C7B	0.7327 (3)	0.5650 (3)	0.51505 (9)	0.0189 (10)
C8B	0.6384 (3)	0.5238 (4)	0.52596 (10)	0.0241 (11)
H8B	0.6289	0.5105	0.5448	0.029*
C9B	0.5582 (4)	0.5019 (4)	0.50947 (11)	0.0306 (12)
H9B	0.4942	0.4717	0.5170	0.037*
C10B	0.5720 (4)	0.5243 (4)	0.48188 (11)	0.0348 (13)
H10B	0.5174	0.5092	0.4706	0.042*
C11B	0.6650 (4)	0.5684 (4)	0.47111 (11)	0.0321 (12)
H11B	0.6749	0.5862	0.4525	0.039*
C12B	0.7445 (4)	0.5870 (4)	0.48744 (10)	0.0268 (11)
H12B	0.8079	0.6151	0.4796	0.032*
C13B	0.8911 (3)	0.4871 (3)	0.59273 (10)	0.0231 (10)
C14B	0.9617 (4)	0.4578 (4)	0.59635 (11)	0.0295 (12)
H14B	1.0112	0.4742	0.5831	0.035*
C15B	0.9590 (5)	0.4052 (4)	0.61917 (13)	0.0405 (15)
H15B	1.0065	0.3855	0.6213	0.049*
C16B	0.8881 (4)	0.3810 (4)	0.63885 (13)	0.0439 (15)
H16B	0.8866	0.3445	0.6543	0.053*
C17B	0.8191 (4)	0.4107 (5)	0.63579 (13)	0.0456 (16)
H17B	0.7715	0.3964	0.6495	0.055*
C18B	0.8201 (4)	0.4615 (4)	0.61260 (10)	0.0280 (11)
H18B	0.7711	0.4790	0.6103	0.034*
C19B	0.4606 (3)	0.2836 (3)	0.55490 (9)	0.0177 (10)
C20B	0.4002 (3)	0.2292 (3)	0.53304 (9)	0.0193 (10)
C21B	0.3189 (3)	0.2398 (3)	0.52671 (10)	0.0237 (11)
H21B	0.2779	0.2043	0.5119	0.028*
C22B	0.2976 (4)	0.3012 (4)	0.54172 (10)	0.0281 (11)
H22B	0.2430	0.3082	0.5370	0.034*
C23B	0.3559 (4)	0.3521 (4)	0.56348 (10)	0.0247 (11)
H23B	0.3405	0.3936	0.5737	0.030*
C24B	0.4374 (3)	0.3438 (3)	0.57072 (9)	0.0209 (10)
C25B	0.4223 (3)	0.1646 (3)	0.51635 (9)	0.0210 (10)
C26B	0.4111 (4)	0.1625 (4)	0.48811 (10)	0.0267 (11)
H26B	0.3881	0.2015	0.4798	0.032*
C27B	0.4338 (4)	0.1032 (4)	0.47206 (11)	0.0343 (13)
H27B	0.4242	0.1008	0.4530	0.041*
C28B	0.4698 (4)	0.0484 (4)	0.48366 (11)	0.0351 (13)
H28B	0.4870	0.0099	0.4726	0.042*
C29B	0.4811 (4)	0.0494 (4)	0.51165 (11)	0.0329 (13)
H29B	0.5056	0.0113	0.5197	0.039*
C30B	0.4564 (3)	0.1064 (3)	0.52790 (10)	0.0226 (10)
H30B	0.4629	0.1055	0.5470	0.027*
C31B	0.4961 (3)	0.3959 (3)	0.59464 (9)	0.0213 (10)
C32B	0.5277 (4)	0.4955 (4)	0.59850 (11)	0.0310 (12)
H32B	0.5138	0.5299	0.5851	0.037*
C33B	0.5792 (4)	0.5450 (4)	0.62174 (12)	0.0404 (15)
H33B	0.6002	0.6124	0.6240	0.048*
C34B	0.5998 (4)	0.4954 (4)	0.64165 (12)	0.0402 (15)
H34B	0.6353	0.5287	0.6574	0.048*
C35B	0.5678 (4)	0.3966 (4)	0.63811 (10)	0.0331 (12)
H35B	0.5800	0.3617	0.6518	0.040*
C36B	0.5182 (4)	0.3485 (4)	0.61479 (10)	0.0272 (11)
H36B	0.4987	0.2814	0.6125	0.033*
C37B	0.7088 (3)	0.1671 (3)	0.55054 (9)	0.0180 (10)
C38B	0.6548 (3)	0.0822 (3)	0.56640 (9)	0.0211 (10)
C39B	0.6597 (4)	−0.0012 (4)	0.56031 (10)	0.0277 (11)
H39B	0.6222	−0.0590	0.5707	0.033*
C40B	0.7176 (4)	−0.0016 (4)	0.53962 (11)	0.0328 (12)
H40B	0.7196	−0.0595	0.5357	0.039*
C41B	0.7729 (4)	0.0821 (4)	0.52454 (10)	0.0304 (12)
H41B	0.8137	0.0812	0.5105	0.036*
C42B	0.7703 (3)	0.1683 (3)	0.52940 (9)	0.0209 (10)
C43B	0.5942 (3)	0.0817 (4)	0.58964 (10)	0.0251 (11)
C44B	0.4994 (4)	0.0042 (4)	0.59353 (11)	0.0349 (13)
H44B	0.4722	−0.0478	0.5808	0.042*
C45B	0.4437 (4)	0.0014 (5)	0.61566 (13)	0.0463 (16)
H45B	0.3795	−0.0527	0.6180	0.056*
C46B	0.4815 (5)	0.0771 (5)	0.63425 (13)	0.0453 (15)
H46B	0.4433	0.0762	0.6492	0.054*
C47B	0.5743 (5)	0.1528 (5)	0.63074 (12)	0.0458 (16)
H47B	0.6010	0.2040	0.6437	0.055*
C48B	0.6310 (4)	0.1573 (4)	0.60874 (10)	0.0312 (12)
H48B	0.6950	0.2120	0.6066	0.037*
C49B	0.8297 (3)	0.2567 (4)	0.51251 (9)	0.0207 (10)
C50B	0.8768 (3)	0.3515 (3)	0.52324 (11)	0.0259 (11)
H50B	0.8740	0.3604	0.5422	0.031*
C51B	0.9273 (4)	0.4325 (4)	0.50673 (11)	0.0325 (12)
H51B	0.9578	0.4962	0.5144	0.039*
C52B	0.9339 (4)	0.4217 (4)	0.47898 (11)	0.0359 (13)
H52B	0.9679	0.4774	0.4676	0.043*
C53B	0.8900 (4)	0.3283 (4)	0.46819 (11)	0.0353 (13)
H53B	0.8956	0.3196	0.4494	0.042*
C54B	0.8375 (4)	0.2466 (4)	0.48480 (11)	0.0323 (12)
H54B	0.8066	0.1830	0.4770	0.039*
C55B	0.6524 (4)	0.2978 (6)	0.49141 (13)	0.0467 (17)
H55B	0.6587	0.2410	0.4925	0.056*
C56B	0.6531 (4)	0.3302 (4)	0.46543 (11)	0.0290 (12)
H56B	0.6393	0.3821	0.4637	0.035*
C57B	0.6708 (5)	0.2977 (5)	0.44287 (13)	0.0517 (18)
H57B	0.6775	0.2413	0.4444	0.062*
C58B	0.6810 (5)	0.3379 (4)	0.41613 (14)	0.0456 (17)
C59B	0.6626 (5)	0.4068 (6)	0.40859 (15)	0.060 (2)
H59B	0.6361	0.4312	0.4217	0.072*
C60B	0.6790 (6)	0.4457 (6)	0.38323 (15)	0.068 (2)
H60B	0.6561	0.4892	0.3785	0.081*
C61B	0.7275 (6)	0.4229 (5)	0.36475 (15)	0.061 (2)
H61B	0.7437	0.4544	0.3476	0.074*
C62B	0.7538 (6)	0.3522 (6)	0.37105 (14)	0.070 (2)
H62B	0.7891	0.3365	0.3584	0.084*
C63B	0.7269 (6)	0.3042 (6)	0.39688 (12)	0.064 (2)
H63B	0.7388	0.2523	0.4012	0.076*
Al3	0.32399 (11)	0.66792 (13)	0.43783 (3)	0.0165 (3)
O1C	0.3721 (2)	0.5950 (2)	0.44488 (7)	0.0244 (8)
O2C	0.3982 (2)	0.7852 (2)	0.44920 (6)	0.0202 (7)
O3C	0.2064 (2)	0.6222 (3)	0.44862 (7)	0.0241 (7)
O4C	0.3205 (3)	0.6789 (2)	0.40093 (8)	0.0355 (10)
C1C	0.3758 (3)	0.5136 (3)	0.44008 (9)	0.0180 (10)
C2C	0.4371 (3)	0.5110 (3)	0.41947 (9)	0.0207 (10)
C3C	0.4370 (4)	0.4235 (4)	0.41516 (10)	0.0291 (12)
H3C	0.4773	0.4207	0.4013	0.035*
C4C	0.3802 (4)	0.3410 (4)	0.43043 (11)	0.0327 (12)
H4C	0.3809	0.2821	0.4269	0.039*
C5C	0.3224 (4)	0.3442 (4)	0.45087 (10)	0.0285 (11)
H5C	0.2832	0.2871	0.4613	0.034*
C6C	0.3204 (3)	0.4302 (3)	0.45652 (9)	0.0207 (10)
C7C	0.5000 (3)	0.5981 (4)	0.40274 (9)	0.0208 (10)
C8C	0.5121 (4)	0.5854 (4)	0.37509 (10)	0.0270 (11)
H8C	0.4816	0.5215	0.3675	0.032*
C9C	0.5689 (4)	0.6666 (4)	0.35875 (11)	0.0316 (12)
H9C	0.5777	0.6572	0.3402	0.038*
C10C	0.6121 (4)	0.7599 (4)	0.36909 (12)	0.0366 (13)
H10C	0.6489	0.8146	0.3576	0.044*
C11C	0.6020 (4)	0.7740 (4)	0.39613 (11)	0.0299 (12)
H11C	0.6321	0.8384	0.4033	0.036*
C12C	0.5474 (3)	0.6934 (3)	0.41311 (10)	0.0233 (10)
H12C	0.5426	0.7036	0.4319	0.028*
C13C	0.2605 (3)	0.4323 (4)	0.47934 (10)	0.0231 (11)
C14C	0.3006 (4)	0.5085 (4)	0.49817 (10)	0.0271 (11)
H14C	0.3662	0.5604	0.4962	0.032*
C15C	0.2437 (5)	0.5077 (4)	0.51976 (12)	0.0392 (14)
H15C	0.2712	0.5596	0.5326	0.047*
C16C	0.1476 (4)	0.4328 (4)	0.52306 (12)	0.0384 (14)
H16C	0.1102	0.4325	0.5382	0.046*
C17C	0.1073 (4)	0.3588 (4)	0.50412 (12)	0.0376 (14)
H17C	0.0411	0.3083	0.5059	0.045*
C18C	0.1631 (4)	0.3577 (4)	0.48238 (11)	0.0303 (12)
H18C	0.1348	0.3060	0.4695	0.036*
C19C	0.4833 (3)	0.8656 (3)	0.44294 (9)	0.0160 (9)
C20C	0.4906 (3)	0.9269 (4)	0.42138 (9)	0.0207 (10)
C21C	0.5823 (4)	1.0093 (4)	0.41572 (10)	0.0255 (11)
H21C	0.5878	1.0516	0.4013	0.031*
C22C	0.6649 (4)	1.0301 (4)	0.43067 (10)	0.0270 (11)
H22C	0.7266	1.0849	0.4262	0.032*
C23C	0.6562 (4)	0.9703 (4)	0.45217 (10)	0.0272 (11)
H23C	0.7128	0.9851	0.4625	0.033*
C24C	0.5667 (3)	0.8884 (3)	0.45914 (9)	0.0203 (10)
C25C	0.4047 (3)	0.9079 (3)	0.40479 (9)	0.0209 (10)
C26C	0.4149 (4)	0.9240 (4)	0.37673 (10)	0.0259 (11)
H26C	0.4774	0.9487	0.3686	0.031*
C27C	0.3337 (4)	0.9038 (4)	0.36067 (11)	0.0327 (12)
H27C	0.3421	0.9176	0.3418	0.039*
C28C	0.2427 (4)	0.8647 (4)	0.37191 (12)	0.0347 (13)
H28C	0.1877	0.8489	0.3608	0.042*
C29C	0.2303 (4)	0.8477 (4)	0.39953 (11)	0.0304 (12)
H29C	0.1668	0.8201	0.4073	0.036*
C30C	0.3107 (3)	0.8711 (3)	0.41602 (10)	0.0235 (10)
H30C	0.3020	0.8621	0.4350	0.028*
C31C	0.5593 (4)	0.8288 (4)	0.48311 (10)	0.0232 (10)
C32C	0.6257 (4)	0.7961 (4)	0.48681 (10)	0.0253 (11)
H32C	0.6736	0.8090	0.4733	0.030*
C33C	0.6228 (4)	0.7447 (4)	0.51008 (11)	0.0330 (12)
H33C	0.6678	0.7217	0.5122	0.040*
C34C	0.5543 (4)	0.7269 (4)	0.53029 (11)	0.0319 (12)
H34C	0.5530	0.6929	0.5463	0.038*
C35C	0.4873 (4)	0.7599 (4)	0.52668 (10)	0.0312 (12)
H35C	0.4407	0.7486	0.5404	0.037*
C36C	0.4888 (4)	0.8089 (4)	0.50315 (9)	0.0251 (11)
H36C	0.4418	0.8291	0.5006	0.030*
C37C	0.1242 (3)	0.6226 (3)	0.44198 (9)	0.0178 (9)
C38C	0.0655 (3)	0.5666 (3)	0.42014 (10)	0.0208 (10)
C39C	−0.0195 (4)	0.5694 (4)	0.41403 (10)	0.0270 (11)
H39C	−0.0596	0.5315	0.3994	0.032*
C40C	−0.0466 (4)	0.6265 (4)	0.42888 (11)	0.0340 (13)
H40C	−0.1044	0.6280	0.4243	0.041*
C41C	0.0107 (4)	0.6812 (4)	0.45028 (10)	0.0296 (12)
H41C	−0.0081	0.7204	0.4603	0.036*
C42C	0.0963 (3)	0.6801 (3)	0.45755 (10)	0.0208 (10)
C43C	0.0931 (3)	0.5062 (3)	0.40336 (10)	0.0221 (10)
C44C	0.1317 (4)	0.4506 (3)	0.41495 (11)	0.0257 (11)
H44C	0.1377	0.4490	0.4341	0.031*
C45C	0.1611 (4)	0.3980 (4)	0.39828 (12)	0.0360 (13)
H45C	0.1889	0.3624	0.4061	0.043*
C46C	0.1501 (4)	0.3975 (4)	0.37060 (12)	0.0397 (14)
H46C	0.1705	0.3619	0.3594	0.048*
C47C	0.1097 (4)	0.4484 (4)	0.35921 (11)	0.0387 (14)
H47C	0.1009	0.4464	0.3401	0.046*
C48C	0.0813 (4)	0.5033 (4)	0.37510 (10)	0.0287 (11)
H48C	0.0540	0.5386	0.3668	0.034*
C49C	0.1538 (4)	0.7377 (4)	0.48126 (10)	0.0267 (11)
C50C	0.1747 (4)	0.8347 (4)	0.48481 (12)	0.0368 (13)
H50C	0.1534	0.8641	0.4717	0.044*
C51C	0.2265 (5)	0.8873 (4)	0.50737 (13)	0.0461 (17)
H51C	0.2411	0.9532	0.5094	0.055*
C52C	0.2575 (4)	0.8460 (5)	0.52706 (13)	0.0450 (16)
H52C	0.2926	0.8824	0.5425	0.054*
C53C	0.2357 (4)	0.7508 (5)	0.52345 (12)	0.0401 (14)
H53C	0.2557	0.7212	0.5368	0.048*
C54C	0.1854 (4)	0.6966 (4)	0.50077 (11)	0.0312 (12)
H54C	0.1726	0.6314	0.4987	0.037*
C55C	0.3244 (4)	0.6397 (4)	0.38045 (12)	0.0372 (14)
H55C	0.3255	0.5803	0.3822	0.045*
C56C	0.3274 (4)	0.6746 (4)	0.35426 (12)	0.0317 (13)
H56C	0.3165	0.7282	0.3520	0.038*
C57C	0.3448 (5)	0.6367 (5)	0.33234 (13)	0.0481 (17)
H57C	0.3534	0.5820	0.3354	0.058*
C58C	0.3524 (6)	0.6677 (4)	0.30461 (12)	0.0458 (18)
C59C	0.3213 (5)	0.7314 (6)	0.29747 (12)	0.058 (2)
H59C	0.2876	0.7485	0.3103	0.069*
C60C	0.3386 (6)	0.7724 (6)	0.27117 (13)	0.063 (2)
H60C	0.3156	0.8154	0.2661	0.076*
C61C	0.3911 (5)	0.7476 (5)	0.25273 (13)	0.0570 (19)
H61C	0.4068	0.7768	0.2353	0.068*
C62C	0.4207 (6)	0.6785 (7)	0.26032 (15)	0.077 (3)
H62C	0.4500	0.6561	0.2475	0.092*
C63C	0.4061 (6)	0.6464 (6)	0.28579 (16)	0.063 (2)
H63C	0.4332	0.6074	0.2915	0.076*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Al1	0.0152 (7)	0.0147 (6)	0.0124 (7)	0.0060 (6)	−0.0005 (5)	−0.0023 (6)
O1A	0.0207 (16)	0.0123 (15)	0.0176 (17)	0.0044 (13)	−0.0027 (13)	−0.0030 (12)
O2A	0.0154 (16)	0.0243 (17)	0.0295 (19)	0.0080 (14)	0.0023 (14)	−0.0052 (14)
O3A	0.0254 (17)	0.0184 (16)	0.0178 (16)	0.0138 (14)	0.0021 (13)	−0.0016 (13)
O4A	0.0263 (17)	0.0296 (18)	0.0156 (17)	0.0153 (15)	−0.0016 (14)	−0.0012 (14)
C1A	0.022 (2)	0.014 (2)	0.020 (2)	0.0113 (19)	−0.0018 (19)	−0.0054 (18)
C2A	0.027 (3)	0.020 (2)	0.023 (3)	0.015 (2)	−0.006 (2)	−0.003 (2)
C3A	0.023 (3)	0.031 (3)	0.029 (3)	0.010 (2)	−0.006 (2)	−0.007 (2)
C4A	0.023 (3)	0.022 (3)	0.037 (3)	0.003 (2)	0.005 (2)	0.000 (2)
C5A	0.031 (3)	0.027 (3)	0.020 (3)	0.010 (2)	0.004 (2)	0.003 (2)
C6A	0.021 (2)	0.026 (2)	0.017 (2)	0.015 (2)	0.0043 (19)	−0.0005 (19)
C7A	0.029 (3)	0.020 (2)	0.023 (3)	0.013 (2)	−0.009 (2)	−0.008 (2)
C8A	0.042 (3)	0.034 (3)	0.032 (3)	0.025 (3)	−0.014 (2)	−0.010 (2)
C9A	0.056 (4)	0.040 (3)	0.040 (3)	0.034 (3)	−0.024 (3)	−0.014 (3)
C10A	0.050 (4)	0.025 (3)	0.036 (3)	0.013 (3)	−0.019 (3)	−0.003 (2)
C11A	0.041 (3)	0.031 (3)	0.034 (3)	0.010 (3)	−0.012 (3)	0.001 (2)
C12A	0.026 (3)	0.021 (2)	0.026 (3)	0.009 (2)	−0.007 (2)	−0.001 (2)
C13A	0.025 (3)	0.013 (2)	0.027 (3)	0.009 (2)	−0.004 (2)	0.0010 (19)
C14A	0.025 (3)	0.027 (3)	0.022 (3)	0.013 (2)	0.002 (2)	0.005 (2)
C15A	0.030 (3)	0.038 (3)	0.039 (3)	0.020 (3)	−0.004 (2)	0.007 (3)
C16A	0.043 (3)	0.040 (3)	0.031 (3)	0.021 (3)	−0.017 (3)	0.003 (3)
C17A	0.040 (3)	0.039 (3)	0.025 (3)	0.015 (3)	−0.006 (2)	0.009 (2)
C18A	0.034 (3)	0.028 (3)	0.016 (3)	0.014 (2)	−0.001 (2)	0.003 (2)
C19A	0.015 (2)	0.014 (2)	0.017 (2)	0.0028 (18)	0.0027 (18)	0.0005 (18)
C20A	0.021 (2)	0.019 (2)	0.022 (3)	0.010 (2)	0.0076 (19)	0.0045 (19)
C21A	0.030 (3)	0.034 (3)	0.023 (3)	0.023 (2)	0.000 (2)	−0.001 (2)
C22A	0.027 (3)	0.035 (3)	0.038 (3)	0.021 (2)	0.000 (2)	0.004 (2)
C23A	0.027 (3)	0.025 (3)	0.024 (3)	0.014 (2)	−0.006 (2)	0.000 (2)
C24A	0.023 (3)	0.020 (2)	0.022 (3)	0.011 (2)	0.005 (2)	0.0039 (19)
C25A	0.023 (2)	0.025 (2)	0.016 (2)	0.010 (2)	0.0056 (19)	−0.0028 (19)
C26A	0.028 (3)	0.030 (3)	0.020 (3)	0.013 (2)	0.003 (2)	0.003 (2)
C27A	0.033 (3)	0.044 (3)	0.022 (3)	0.015 (3)	0.003 (2)	−0.002 (2)
C28A	0.043 (3)	0.046 (3)	0.021 (3)	0.013 (3)	0.000 (2)	−0.011 (3)
C29A	0.049 (4)	0.023 (3)	0.034 (3)	0.009 (3)	0.003 (3)	−0.010 (2)
C30A	0.042 (3)	0.028 (3)	0.027 (3)	0.017 (2)	0.007 (2)	0.003 (2)
C31A	0.021 (2)	0.016 (2)	0.020 (3)	0.007 (2)	−0.0019 (19)	−0.0016 (18)
C32A	0.025 (3)	0.020 (2)	0.026 (3)	0.010 (2)	−0.003 (2)	−0.008 (2)
C33A	0.026 (3)	0.026 (3)	0.038 (3)	0.014 (2)	−0.005 (2)	−0.007 (2)
C34A	0.036 (3)	0.031 (3)	0.044 (3)	0.019 (3)	0.006 (3)	−0.013 (2)
C35A	0.052 (4)	0.046 (3)	0.018 (3)	0.030 (3)	−0.004 (2)	−0.010 (2)
C36A	0.031 (3)	0.034 (3)	0.023 (3)	0.019 (2)	−0.002 (2)	−0.004 (2)
C37A	0.014 (2)	0.015 (2)	0.019 (2)	0.0064 (18)	−0.0037 (17)	−0.0014 (18)
C38A	0.018 (2)	0.020 (2)	0.022 (3)	0.010 (2)	0.0003 (19)	0.0008 (19)
C39A	0.027 (3)	0.024 (3)	0.023 (3)	0.016 (2)	0.001 (2)	−0.005 (2)
C40A	0.034 (3)	0.019 (2)	0.035 (3)	0.015 (2)	0.002 (2)	0.001 (2)
C41A	0.026 (3)	0.023 (3)	0.025 (3)	0.010 (2)	0.001 (2)	0.003 (2)
C42A	0.018 (2)	0.023 (2)	0.019 (2)	0.010 (2)	−0.0001 (18)	−0.0002 (19)
C43A	0.020 (2)	0.021 (2)	0.026 (3)	0.012 (2)	0.000 (2)	−0.001 (2)
C44A	0.028 (3)	0.031 (3)	0.020 (3)	0.016 (2)	0.003 (2)	−0.001 (2)
C45A	0.032 (3)	0.041 (3)	0.022 (3)	0.022 (3)	0.005 (2)	0.003 (2)
C46A	0.031 (3)	0.032 (3)	0.037 (3)	0.015 (2)	0.012 (2)	0.012 (2)
C47A	0.025 (3)	0.024 (3)	0.038 (3)	0.008 (2)	0.008 (2)	0.000 (2)
C48A	0.019 (2)	0.026 (3)	0.028 (3)	0.011 (2)	0.002 (2)	−0.003 (2)
C49A	0.025 (2)	0.019 (2)	0.020 (2)	0.013 (2)	−0.0008 (19)	0.0045 (19)
C50A	0.021 (2)	0.024 (3)	0.028 (3)	0.007 (2)	0.000 (2)	0.005 (2)
C51A	0.029 (3)	0.036 (3)	0.030 (3)	0.015 (2)	0.006 (2)	0.011 (2)
C52A	0.038 (3)	0.038 (3)	0.028 (3)	0.023 (3)	0.013 (2)	0.005 (2)
C53A	0.041 (3)	0.030 (3)	0.023 (3)	0.020 (2)	−0.002 (2)	−0.005 (2)
C54A	0.027 (3)	0.025 (3)	0.029 (3)	0.013 (2)	0.001 (2)	0.002 (2)
C55A	0.025 (2)	0.025 (3)	0.027 (3)	0.013 (2)	0.003 (2)	0.002 (2)
C56A	0.033 (3)	0.030 (3)	0.019 (3)	0.018 (2)	0.003 (2)	−0.001 (2)
C57A	0.026 (3)	0.044 (3)	0.019 (3)	0.018 (2)	0.004 (2)	0.004 (2)
C58A	0.033 (3)	0.023 (2)	0.020 (3)	0.014 (2)	−0.003 (2)	0.003 (2)
C59A	0.040 (3)	0.050 (4)	0.026 (3)	0.024 (3)	−0.001 (2)	0.005 (3)
C60A	0.037 (3)	0.046 (3)	0.021 (3)	0.013 (3)	−0.007 (2)	−0.002 (2)
C61A	0.050 (3)	0.041 (3)	0.018 (3)	0.026 (3)	0.001 (2)	−0.002 (2)
C62A	0.035 (3)	0.060 (4)	0.026 (3)	0.029 (3)	0.006 (2)	0.001 (3)
C63A	0.030 (3)	0.045 (3)	0.025 (3)	0.018 (3)	0.000 (2)	−0.006 (2)
Al2	0.0171 (7)	0.0132 (6)	0.0155 (7)	0.0064 (5)	−0.0003 (5)	0.0006 (6)
O1B	0.0217 (17)	0.0174 (16)	0.0212 (17)	0.0070 (14)	−0.0051 (13)	0.0000 (13)
O2B	0.0181 (16)	0.0219 (17)	0.0189 (17)	0.0096 (14)	−0.0027 (13)	−0.0001 (13)
O3B	0.0230 (17)	0.0241 (18)	0.035 (2)	0.0163 (15)	0.0069 (15)	0.0039 (15)
O4B	0.0288 (19)	0.046 (2)	0.017 (2)	0.0098 (17)	−0.0005 (15)	−0.0039 (15)
C1B	0.016 (2)	0.017 (2)	0.017 (2)	0.0091 (19)	0.0018 (18)	−0.0026 (18)
C2B	0.022 (2)	0.022 (2)	0.019 (2)	0.015 (2)	−0.0024 (19)	−0.0037 (19)
C3B	0.014 (2)	0.030 (3)	0.026 (3)	0.005 (2)	0.0013 (19)	−0.002 (2)
C4B	0.019 (2)	0.030 (3)	0.023 (3)	0.006 (2)	0.005 (2)	0.004 (2)
C5B	0.024 (3)	0.025 (3)	0.024 (3)	0.011 (2)	0.007 (2)	0.002 (2)
C6B	0.021 (2)	0.021 (2)	0.015 (2)	0.011 (2)	0.0005 (18)	−0.0052 (18)
C7B	0.023 (2)	0.016 (2)	0.021 (2)	0.012 (2)	0.0013 (19)	−0.0008 (18)
C8B	0.027 (3)	0.024 (3)	0.024 (3)	0.015 (2)	−0.004 (2)	0.004 (2)
C9B	0.019 (3)	0.030 (3)	0.040 (3)	0.010 (2)	−0.002 (2)	0.004 (2)
C10B	0.033 (3)	0.038 (3)	0.038 (3)	0.021 (3)	−0.016 (2)	−0.002 (2)
C11B	0.043 (3)	0.039 (3)	0.020 (3)	0.024 (3)	−0.008 (2)	−0.003 (2)
C12B	0.030 (3)	0.031 (3)	0.018 (3)	0.014 (2)	−0.002 (2)	0.000 (2)
C13B	0.022 (2)	0.020 (2)	0.023 (3)	0.007 (2)	−0.008 (2)	−0.003 (2)
C14B	0.040 (3)	0.034 (3)	0.026 (3)	0.027 (3)	−0.010 (2)	−0.008 (2)
C15B	0.047 (4)	0.033 (3)	0.053 (4)	0.029 (3)	−0.022 (3)	−0.006 (3)
C16B	0.045 (4)	0.034 (3)	0.046 (4)	0.014 (3)	−0.010 (3)	0.019 (3)
C17B	0.032 (3)	0.049 (4)	0.044 (4)	0.011 (3)	0.000 (3)	0.022 (3)
C18B	0.026 (3)	0.031 (3)	0.023 (3)	0.012 (2)	−0.008 (2)	0.004 (2)
C19B	0.014 (2)	0.016 (2)	0.020 (2)	0.0051 (18)	−0.0006 (18)	0.0005 (18)
C20B	0.015 (2)	0.019 (2)	0.024 (3)	0.0080 (19)	0.0029 (19)	0.0051 (19)
C21B	0.018 (2)	0.025 (3)	0.024 (3)	0.008 (2)	−0.0034 (19)	0.000 (2)
C22B	0.023 (3)	0.040 (3)	0.026 (3)	0.019 (2)	0.002 (2)	0.004 (2)
C23B	0.027 (3)	0.027 (3)	0.027 (3)	0.019 (2)	0.002 (2)	0.002 (2)
C24B	0.018 (2)	0.023 (2)	0.021 (3)	0.010 (2)	0.0041 (19)	0.0030 (19)
C25B	0.016 (2)	0.020 (2)	0.021 (3)	0.0038 (19)	−0.0014 (18)	−0.0027 (19)
C26B	0.022 (3)	0.031 (3)	0.025 (3)	0.011 (2)	−0.007 (2)	−0.006 (2)
C27B	0.035 (3)	0.046 (3)	0.019 (3)	0.018 (3)	−0.006 (2)	−0.007 (2)
C28B	0.035 (3)	0.038 (3)	0.036 (3)	0.020 (3)	−0.006 (2)	−0.014 (3)
C29B	0.037 (3)	0.023 (3)	0.043 (3)	0.019 (2)	−0.007 (3)	−0.006 (2)
C30B	0.024 (2)	0.016 (2)	0.022 (3)	0.005 (2)	−0.003 (2)	−0.0021 (19)
C31B	0.018 (2)	0.024 (2)	0.020 (3)	0.009 (2)	0.0057 (19)	−0.0030 (19)
C32B	0.032 (3)	0.020 (3)	0.035 (3)	0.009 (2)	0.003 (2)	−0.004 (2)
C33B	0.036 (3)	0.029 (3)	0.044 (4)	0.007 (3)	0.003 (3)	−0.015 (3)
C34B	0.028 (3)	0.051 (4)	0.032 (3)	0.012 (3)	−0.009 (2)	−0.020 (3)
C35B	0.028 (3)	0.046 (3)	0.022 (3)	0.016 (3)	−0.001 (2)	0.000 (2)
C36B	0.024 (3)	0.035 (3)	0.025 (3)	0.016 (2)	0.001 (2)	−0.005 (2)
C37B	0.018 (2)	0.020 (2)	0.018 (2)	0.0108 (19)	−0.0011 (18)	−0.0007 (18)
C38B	0.019 (2)	0.024 (2)	0.020 (2)	0.010 (2)	−0.0034 (19)	0.0008 (19)
C39B	0.033 (3)	0.021 (3)	0.027 (3)	0.012 (2)	−0.003 (2)	0.002 (2)
C40B	0.050 (3)	0.021 (3)	0.032 (3)	0.021 (3)	−0.004 (3)	−0.001 (2)
C41B	0.037 (3)	0.035 (3)	0.027 (3)	0.024 (3)	0.001 (2)	−0.009 (2)
C42B	0.021 (2)	0.019 (2)	0.020 (2)	0.009 (2)	−0.0075 (19)	−0.0054 (19)
C43B	0.019 (2)	0.031 (3)	0.030 (3)	0.016 (2)	0.001 (2)	0.011 (2)
C44B	0.025 (3)	0.041 (3)	0.032 (3)	0.011 (2)	−0.001 (2)	0.007 (2)
C45B	0.017 (3)	0.068 (4)	0.050 (4)	0.018 (3)	0.007 (2)	0.019 (3)
C46B	0.040 (3)	0.067 (4)	0.037 (3)	0.033 (3)	0.008 (3)	0.010 (3)
C47B	0.054 (4)	0.061 (4)	0.034 (3)	0.037 (3)	0.009 (3)	0.010 (3)
C48B	0.035 (3)	0.029 (3)	0.029 (3)	0.015 (2)	0.003 (2)	0.005 (2)
C49B	0.017 (2)	0.028 (3)	0.022 (3)	0.015 (2)	0.0034 (19)	0.004 (2)
C50B	0.018 (2)	0.022 (3)	0.034 (3)	0.007 (2)	0.005 (2)	−0.004 (2)
C51B	0.027 (3)	0.025 (3)	0.042 (3)	0.010 (2)	0.010 (2)	0.003 (2)
C52B	0.031 (3)	0.038 (3)	0.035 (3)	0.014 (3)	0.011 (2)	0.014 (2)
C53B	0.031 (3)	0.044 (3)	0.026 (3)	0.016 (3)	0.007 (2)	0.006 (2)
C54B	0.031 (3)	0.033 (3)	0.026 (3)	0.012 (2)	−0.001 (2)	−0.001 (2)
C55B	0.046 (4)	0.084 (5)	0.031 (4)	0.048 (4)	−0.005 (3)	0.002 (3)
C56B	0.033 (3)	0.035 (3)	0.022 (3)	0.018 (2)	0.000 (2)	−0.003 (2)
C57B	0.059 (4)	0.064 (4)	0.045 (4)	0.040 (4)	−0.003 (3)	0.000 (3)
C58B	0.055 (4)	0.051 (4)	0.023 (3)	0.020 (3)	0.009 (3)	0.008 (2)
C59B	0.070 (5)	0.078 (5)	0.053 (4)	0.054 (5)	−0.017 (4)	−0.022 (4)
C60B	0.085 (6)	0.088 (6)	0.063 (5)	0.068 (5)	0.034 (4)	0.025 (4)
C61B	0.090 (6)	0.052 (4)	0.050 (4)	0.042 (4)	−0.006 (4)	0.006 (3)
C62B	0.110 (7)	0.086 (6)	0.037 (4)	0.066 (5)	0.015 (4)	0.010 (4)
C63B	0.110 (7)	0.082 (5)	0.026 (3)	0.068 (5)	0.000 (4)	0.001 (3)
Al3	0.0174 (7)	0.0193 (7)	0.0155 (7)	0.0113 (6)	0.0001 (5)	−0.0005 (5)
O1C	0.0223 (17)	0.0212 (17)	0.034 (2)	0.0140 (15)	0.0058 (14)	0.0085 (15)
O2C	0.0185 (16)	0.0183 (16)	0.0191 (17)	0.0057 (14)	−0.0024 (13)	−0.0001 (13)
O3C	0.0171 (16)	0.0279 (18)	0.0281 (19)	0.0120 (15)	0.0006 (14)	−0.0075 (14)
O4C	0.063 (3)	0.0265 (19)	0.020 (2)	0.025 (2)	0.0024 (17)	−0.0016 (14)
C1C	0.018 (2)	0.018 (2)	0.018 (2)	0.0099 (19)	−0.0055 (18)	0.0000 (18)
C2C	0.019 (2)	0.021 (2)	0.020 (3)	0.008 (2)	−0.0054 (19)	−0.0029 (19)
C3C	0.044 (3)	0.028 (3)	0.018 (3)	0.021 (3)	0.003 (2)	−0.004 (2)
C4C	0.046 (3)	0.024 (3)	0.029 (3)	0.019 (3)	−0.002 (2)	−0.002 (2)
C5C	0.031 (3)	0.022 (3)	0.029 (3)	0.011 (2)	0.000 (2)	0.004 (2)
C6C	0.016 (2)	0.024 (2)	0.019 (2)	0.008 (2)	−0.0025 (18)	0.0033 (19)
C7C	0.020 (2)	0.027 (3)	0.019 (2)	0.014 (2)	0.0017 (19)	0.002 (2)
C8C	0.029 (3)	0.031 (3)	0.020 (3)	0.013 (2)	−0.001 (2)	−0.002 (2)
C9C	0.030 (3)	0.042 (3)	0.025 (3)	0.020 (3)	0.011 (2)	0.008 (2)
C10C	0.039 (3)	0.038 (3)	0.033 (3)	0.020 (3)	0.012 (2)	0.012 (2)
C11C	0.029 (3)	0.024 (3)	0.034 (3)	0.012 (2)	0.009 (2)	0.005 (2)
C12C	0.021 (2)	0.022 (2)	0.028 (3)	0.011 (2)	0.005 (2)	−0.001 (2)
C13C	0.024 (2)	0.026 (3)	0.020 (3)	0.013 (2)	0.0019 (19)	0.008 (2)
C14C	0.026 (3)	0.027 (3)	0.028 (3)	0.013 (2)	0.004 (2)	0.002 (2)
C15C	0.052 (4)	0.036 (3)	0.036 (3)	0.027 (3)	0.009 (3)	0.005 (2)
C16C	0.043 (3)	0.048 (3)	0.038 (3)	0.032 (3)	0.017 (3)	0.015 (3)
C17C	0.025 (3)	0.041 (3)	0.047 (4)	0.017 (3)	0.009 (2)	0.017 (3)
C18C	0.022 (3)	0.030 (3)	0.034 (3)	0.009 (2)	−0.001 (2)	0.012 (2)
C19C	0.018 (2)	0.015 (2)	0.018 (2)	0.0099 (19)	0.0013 (18)	−0.0016 (17)
C20C	0.024 (2)	0.027 (3)	0.017 (2)	0.016 (2)	0.0056 (19)	0.0003 (19)
C21C	0.025 (3)	0.028 (3)	0.020 (3)	0.010 (2)	0.004 (2)	0.003 (2)
C22C	0.021 (3)	0.023 (3)	0.030 (3)	0.006 (2)	0.002 (2)	0.001 (2)
C23C	0.022 (3)	0.028 (3)	0.027 (3)	0.010 (2)	−0.001 (2)	−0.003 (2)
C24C	0.023 (2)	0.023 (2)	0.021 (2)	0.016 (2)	0.0003 (19)	0.0023 (19)
C25C	0.025 (3)	0.016 (2)	0.024 (3)	0.012 (2)	−0.001 (2)	0.0016 (19)
C26C	0.030 (3)	0.030 (3)	0.023 (3)	0.018 (2)	−0.003 (2)	−0.001 (2)
C27C	0.039 (3)	0.038 (3)	0.025 (3)	0.021 (3)	−0.008 (2)	0.004 (2)
C28C	0.034 (3)	0.035 (3)	0.038 (3)	0.019 (3)	−0.015 (2)	0.001 (2)
C29C	0.025 (3)	0.032 (3)	0.040 (3)	0.019 (2)	0.001 (2)	0.010 (2)
C30C	0.026 (3)	0.022 (2)	0.030 (3)	0.017 (2)	0.002 (2)	0.007 (2)
C31C	0.025 (3)	0.024 (3)	0.019 (3)	0.011 (2)	−0.004 (2)	−0.002 (2)
C32C	0.027 (3)	0.025 (3)	0.026 (3)	0.014 (2)	−0.001 (2)	−0.001 (2)
C33C	0.039 (3)	0.032 (3)	0.035 (3)	0.023 (3)	−0.004 (2)	0.003 (2)
C34C	0.037 (3)	0.028 (3)	0.027 (3)	0.013 (2)	−0.006 (2)	0.005 (2)
C35C	0.030 (3)	0.032 (3)	0.025 (3)	0.011 (2)	0.002 (2)	0.005 (2)
C36C	0.030 (3)	0.030 (3)	0.018 (3)	0.018 (2)	−0.003 (2)	−0.001 (2)
C37C	0.015 (2)	0.015 (2)	0.020 (2)	0.0054 (18)	0.0014 (18)	0.0012 (18)
C38C	0.017 (2)	0.021 (2)	0.024 (3)	0.009 (2)	0.0058 (19)	0.0063 (19)
C39C	0.026 (3)	0.035 (3)	0.022 (3)	0.016 (2)	−0.006 (2)	0.002 (2)
C40C	0.033 (3)	0.044 (3)	0.034 (3)	0.026 (3)	0.001 (2)	0.007 (2)
C41C	0.033 (3)	0.037 (3)	0.029 (3)	0.025 (3)	0.007 (2)	0.007 (2)
C42C	0.017 (2)	0.021 (2)	0.028 (3)	0.012 (2)	0.011 (2)	0.008 (2)
C43C	0.018 (2)	0.018 (2)	0.024 (3)	0.004 (2)	−0.0020 (19)	−0.0013 (19)
C44C	0.029 (3)	0.016 (2)	0.029 (3)	0.009 (2)	−0.011 (2)	−0.008 (2)
C45C	0.040 (3)	0.026 (3)	0.047 (4)	0.020 (3)	−0.013 (3)	−0.014 (2)
C46C	0.039 (3)	0.040 (3)	0.043 (4)	0.022 (3)	−0.006 (3)	−0.023 (3)
C47C	0.041 (3)	0.047 (4)	0.024 (3)	0.019 (3)	−0.003 (2)	−0.015 (3)
C48C	0.030 (3)	0.032 (3)	0.027 (3)	0.018 (2)	0.000 (2)	0.000 (2)
C49C	0.024 (3)	0.027 (3)	0.025 (3)	0.010 (2)	0.008 (2)	−0.008 (2)
C50C	0.040 (3)	0.025 (3)	0.040 (3)	0.013 (2)	0.011 (3)	−0.002 (2)
C51C	0.047 (4)	0.025 (3)	0.048 (4)	0.005 (3)	0.014 (3)	−0.015 (3)
C52C	0.026 (3)	0.044 (3)	0.044 (4)	0.002 (3)	0.004 (3)	−0.023 (3)
C53C	0.030 (3)	0.054 (4)	0.039 (3)	0.024 (3)	−0.011 (2)	−0.017 (3)
C54C	0.023 (3)	0.040 (3)	0.031 (3)	0.016 (2)	−0.004 (2)	−0.013 (2)
C55C	0.034 (3)	0.032 (3)	0.037 (3)	0.010 (3)	0.003 (2)	−0.006 (3)
C56C	0.053 (4)	0.032 (3)	0.019 (3)	0.028 (3)	0.004 (2)	0.003 (2)
C57C	0.062 (4)	0.052 (4)	0.035 (4)	0.032 (4)	−0.001 (3)	0.000 (3)
C58C	0.100 (6)	0.048 (4)	0.012 (3)	0.054 (4)	−0.004 (3)	0.005 (2)
C59C	0.078 (5)	0.087 (6)	0.030 (3)	0.057 (5)	0.013 (3)	0.010 (3)
C60C	0.100 (6)	0.085 (6)	0.028 (3)	0.064 (5)	0.001 (4)	0.002 (3)
C61C	0.064 (5)	0.078 (5)	0.032 (4)	0.037 (4)	0.006 (3)	0.004 (3)
C62C	0.116 (7)	0.117 (7)	0.042 (4)	0.091 (7)	0.032 (4)	0.020 (4)
C63C	0.073 (5)	0.071 (5)	0.068 (5)	0.054 (4)	−0.004 (4)	0.025 (4)

Geometric parameters (Å, º)

Al1—O1A	1.716 (3)	C30B—H30B	0.950
Al1—O2A	1.695 (3)	C31B—C32B	1.403 (6)
Al1—O3A	1.707 (3)	C31B—C36B	1.389 (7)
Al1—O4A	1.841 (4)	C32B—H32B	0.950
O1A—C1A	1.352 (5)	C32B—C33B	1.397 (8)
O2A—C19A	1.336 (5)	C33B—H33B	0.950
O3A—C37A	1.347 (5)	C33B—C34B	1.393 (8)
O4A—C55A	1.245 (6)	C34B—H34B	0.950
C1A—C2A	1.422 (6)	C34B—C35B	1.388 (8)
C1A—C6A	1.407 (6)	C35B—H35B	0.950
C2A—C3A	1.401 (7)	C35B—C36B	1.386 (7)
C2A—C7A	1.481 (7)	C36B—H36B	0.950
C3A—H3A	0.950	C37B—C38B	1.412 (6)
C3A—C4A	1.380 (7)	C37B—C42B	1.419 (6)
C4A—H4A	0.950	C38B—C39B	1.389 (7)
C4A—C5A	1.377 (7)	C38B—C43B	1.491 (7)
C5A—H5A	0.950	C39B—H39B	0.950
C5A—C6A	1.394 (6)	C39B—C40B	1.373 (7)
C6A—C13A	1.490 (6)	C40B—H40B	0.950
C7A—C8A	1.395 (7)	C40B—C41B	1.381 (7)
C7A—C12A	1.399 (7)	C41B—H41B	0.950
C8A—H8A	0.950	C41B—C42B	1.401 (6)
C8A—C9A	1.389 (8)	C42B—C49B	1.487 (6)
C9A—H9A	0.950	C43B—C44B	1.393 (7)
C9A—C10A	1.382 (8)	C43B—C48B	1.399 (7)
C10A—H10A	0.950	C44B—H44B	0.950
C10A—C11A	1.387 (8)	C44B—C45B	1.389 (8)
C11A—H11A	0.950	C45B—H45B	0.950
C11A—C12A	1.394 (7)	C45B—C46B	1.383 (9)
C12A—H12A	0.950	C46B—H46B	0.950
C13A—C14A	1.404 (6)	C46B—C47B	1.360 (9)
C13A—C18A	1.396 (7)	C47B—H47B	0.950
C14A—H14A	0.950	C47B—C48B	1.386 (8)
C14A—C15A	1.393 (7)	C48B—H48B	0.950
C15A—H15A	0.950	C49B—C50B	1.399 (6)
C15A—C16A	1.393 (8)	C49B—C54B	1.391 (7)
C16A—H16A	0.950	C50B—H50B	0.950
C16A—C17A	1.385 (8)	C50B—C51B	1.383 (7)
C17A—H17A	0.950	C51B—H51B	0.950
C17A—C18A	1.389 (7)	C51B—C52B	1.392 (8)
C18A—H18A	0.950	C52B—H52B	0.950
C19A—C20A	1.428 (6)	C52B—C53B	1.383 (8)
C19A—C24A	1.408 (6)	C53B—H53B	0.950
C20A—C21A	1.391 (6)	C53B—C54B	1.397 (7)
C20A—C25A	1.473 (7)	C54B—H54B	0.950
C21A—H21A	0.950	C55B—H55B	0.950
C21A—C22A	1.386 (7)	C55B—C56B	1.379 (9)
C22A—H22A	0.950	C56B—H56B	0.950
C22A—C23A	1.396 (7)	C56B—C57B	1.314 (9)
C23A—H23A	0.950	C57B—H57B	0.950
C23A—C24A	1.395 (6)	C57B—C58B	1.439 (9)
C24A—C31A	1.493 (6)	C58B—C59B	1.311 (9)
C25A—C26A	1.407 (7)	C58B—C63B	1.448 (9)
C25A—C30A	1.391 (7)	C59B—H59B	0.950
C26A—H26A	0.950	C59B—C60B	1.362 (10)
C26A—C27A	1.381 (7)	C60B—H60B	0.950
C27A—H27A	0.950	C60B—C61B	1.351 (9)
C27A—C28A	1.377 (8)	C61B—H61B	0.950
C28A—H28A	0.950	C61B—C62B	1.404 (9)
C28A—C29A	1.386 (8)	C62B—H62B	0.950
C29A—H29A	0.950	C62B—C63B	1.436 (9)
C29A—C30A	1.396 (7)	C63B—H63B	0.950
C30A—H30A	0.950	Al3—O1C	1.700 (3)
C31A—C32A	1.400 (6)	Al3—O2C	1.715 (3)
C31A—C36A	1.392 (7)	Al3—O3C	1.705 (3)
C32A—H32A	0.950	Al3—O4C	1.834 (4)
C32A—C33A	1.391 (7)	O1C—C1C	1.336 (5)
C33A—H33A	0.950	O2C—C19C	1.343 (5)
C33A—C34A	1.388 (8)	O3C—C37C	1.340 (5)
C34A—H34A	0.950	O4C—C55C	1.203 (7)
C34A—C35A	1.387 (8)	C1C—C2C	1.419 (7)
C35A—H35A	0.950	C1C—C6C	1.416 (6)
C35A—C36A	1.391 (7)	C2C—C3C	1.396 (6)
C36A—H36A	0.950	C2C—C7C	1.481 (6)
C37A—C38A	1.411 (6)	C3C—H3C	0.950
C37A—C42A	1.414 (6)	C3C—C4C	1.378 (7)
C38A—C39A	1.405 (6)	C4C—H4C	0.950
C38A—C43A	1.490 (6)	C4C—C5C	1.379 (7)
C39A—H39A	0.950	C5C—H5C	0.950
C39A—C40A	1.374 (7)	C5C—C6C	1.400 (7)
C40A—H40A	0.950	C6C—C13C	1.482 (7)
C40A—C41A	1.389 (7)	C7C—C8C	1.407 (6)
C41A—H41A	0.950	C7C—C12C	1.399 (6)
C41A—C42A	1.389 (6)	C8C—H8C	0.950
C42A—C49A	1.485 (6)	C8C—C9C	1.395 (7)
C43A—C44A	1.398 (7)	C9C—H9C	0.950
C43A—C48A	1.401 (6)	C9C—C10C	1.374 (8)
C44A—H44A	0.950	C10C—H10C	0.950
C44A—C45A	1.401 (7)	C10C—C11C	1.376 (8)
C45A—H45A	0.950	C11C—H11C	0.950
C45A—C46A	1.383 (8)	C11C—C12C	1.403 (7)
C46A—H46A	0.950	C12C—H12C	0.950
C46A—C47A	1.389 (8)	C13C—C14C	1.397 (7)
C47A—H47A	0.950	C13C—C18C	1.399 (7)
C47A—C48A	1.401 (7)	C14C—H14C	0.950
C48A—H48A	0.950	C14C—C15C	1.389 (7)
C49A—C50A	1.398 (6)	C15C—H15C	0.950
C49A—C54A	1.402 (7)	C15C—C16C	1.389 (8)
C50A—H50A	0.950	C16C—H16C	0.950
C50A—C51A	1.389 (7)	C16C—C17C	1.378 (8)
C51A—H51A	0.950	C17C—H17C	0.950
C51A—C52A	1.379 (7)	C17C—C18C	1.394 (8)
C52A—H52A	0.950	C18C—H18C	0.950
C52A—C53A	1.396 (7)	C19C—C20C	1.404 (6)
C53A—H53A	0.950	C19C—C24C	1.424 (6)
C53A—C54A	1.381 (7)	C20C—C21C	1.407 (7)
C54A—H54A	0.950	C20C—C25C	1.481 (6)
C55A—H55A	0.950	C21C—H21C	0.950
C55A—C56A	1.404 (7)	C21C—C22C	1.386 (7)
C56A—H56A	0.950	C22C—H22C	0.950
C56A—C57A	1.350 (7)	C22C—C23C	1.382 (7)
C57A—H57A	0.950	C23C—H23C	0.950
C57A—C58A	1.453 (7)	C23C—C24C	1.399 (6)
C58A—C59A	1.381 (7)	C24C—C31C	1.479 (6)
C58A—C63A	1.413 (7)	C25C—C26C	1.404 (7)
C59A—H59A	0.950	C25C—C30C	1.407 (6)
C59A—C60A	1.389 (7)	C26C—H26C	0.950
C60A—H60A	0.950	C26C—C27C	1.401 (7)
C60A—C61A	1.379 (7)	C27C—H27C	0.950
C61A—H61A	0.950	C27C—C28C	1.365 (8)
C61A—C62A	1.378 (7)	C28C—H28C	0.950
C62A—H62A	0.950	C28C—C29C	1.385 (8)
C62A—C63A	1.382 (7)	C29C—H29C	0.950
C63A—H63A	0.950	C29C—C30C	1.392 (7)
Al2—O1B	1.698 (3)	C30C—H30C	0.950
Al2—O2B	1.708 (3)	C31C—C32C	1.393 (6)
Al2—O3B	1.703 (3)	C31C—C36C	1.402 (7)
Al2—O4B	1.830 (4)	C32C—H32C	0.950
O1B—C1B	1.347 (5)	C32C—C33C	1.394 (7)
O2B—C19B	1.349 (5)	C33C—H33C	0.950
O3B—C37B	1.347 (5)	C33C—C34C	1.392 (7)
O4B—C55B	1.165 (8)	C34C—H34C	0.950
C1B—C2B	1.420 (6)	C34C—C35C	1.403 (7)
C1B—C6B	1.410 (6)	C35C—H35C	0.950
C2B—C3B	1.399 (6)	C35C—C36C	1.390 (7)
C2B—C13B	1.472 (7)	C36C—H36C	0.950
C3B—H3B	0.950	C37C—C38C	1.409 (6)
C3B—C4B	1.387 (7)	C37C—C42C	1.418 (6)
C4B—H4B	0.950	C38C—C39C	1.398 (6)
C4B—C5B	1.390 (7)	C38C—C43C	1.483 (6)
C5B—H5B	0.950	C39C—H39C	0.950
C5B—C6B	1.407 (6)	C39C—C40C	1.384 (7)
C6B—C7B	1.478 (6)	C40C—H40C	0.950
C7B—C8B	1.399 (6)	C40C—C41C	1.378 (8)
C7B—C12B	1.396 (6)	C41C—H41C	0.950
C8B—H8B	0.950	C41C—C42C	1.405 (6)
C8B—C9B	1.396 (7)	C42C—C49C	1.482 (7)
C9B—H9B	0.950	C43C—C44C	1.413 (6)
C9B—C10B	1.397 (7)	C43C—C48C	1.406 (7)
C10B—H10B	0.950	C44C—H44C	0.950
C10B—C11B	1.378 (8)	C44C—C45C	1.403 (7)
C11B—H11B	0.950	C45C—H45C	0.950
C11B—C12B	1.393 (7)	C45C—C46C	1.378 (8)
C12B—H12B	0.950	C46C—H46C	0.950
C13B—C14B	1.415 (7)	C46C—C47C	1.372 (8)
C13B—C18B	1.388 (7)	C47C—H47C	0.950
C14B—H14B	0.950	C47C—C48C	1.398 (7)
C14B—C15B	1.388 (7)	C48C—H48C	0.950
C15B—H15B	0.950	C49C—C50C	1.405 (7)
C15B—C16B	1.383 (9)	C49C—C54C	1.386 (7)
C16B—H16B	0.950	C50C—H50C	0.950
C16B—C17B	1.392 (8)	C50C—C51C	1.386 (8)
C17B—H17B	0.950	C51C—H51C	0.950
C17B—C18B	1.393 (7)	C51C—C52C	1.388 (9)
C18B—H18B	0.950	C52C—H52C	0.950
C19B—C20B	1.411 (6)	C52C—C53C	1.375 (8)
C19B—C24B	1.412 (6)	C53C—H53C	0.950
C20B—C21B	1.409 (6)	C53C—C54C	1.392 (7)
C20B—C25B	1.482 (6)	C54C—H54C	0.950
C21B—H21B	0.950	C55C—H55C	0.950
C21B—C22B	1.388 (7)	C55C—C56C	1.397 (9)
C22B—H22B	0.950	C56C—H56C	0.950
C22B—C23B	1.381 (7)	C56C—C57C	1.330 (8)
C23B—H23B	0.950	C57C—H57C	0.950
C23B—C24B	1.403 (6)	C57C—C58C	1.439 (8)
C24B—C31B	1.472 (7)	C58C—C59C	1.367 (8)
C25B—C26B	1.404 (7)	C58C—C63C	1.407 (10)
C25B—C30B	1.397 (7)	C59C—H59C	0.950
C26B—H26B	0.950	C59C—C60C	1.416 (8)
C26B—C27B	1.403 (7)	C60C—H60C	0.950
C27B—H27B	0.950	C60C—C61C	1.411 (9)
C27B—C28B	1.375 (8)	C61C—H61C	0.950
C28B—H28B	0.950	C61C—C62C	1.435 (10)
C28B—C29B	1.393 (8)	C62C—H62C	0.950
C29B—H29B	0.950	C62C—C63C	1.333 (9)
C29B—C30B	1.398 (7)	C63C—H63C	0.950
O1A—Al1—O2A	114.51 (16)	C24B—C31B—C32B	120.4 (5)
O1A—Al1—O3A	110.47 (16)	C24B—C31B—C36B	122.1 (4)
O1A—Al1—O4A	106.13 (16)	C32B—C31B—C36B	117.4 (5)
O2A—Al1—O3A	112.80 (17)	C31B—C32B—H32B	119.4
O2A—Al1—O4A	107.84 (17)	C31B—C32B—C33B	121.3 (5)
O3A—Al1—O4A	104.31 (15)	H32B—C32B—C33B	119.4
Al1—O1A—C1A	136.6 (3)	C32B—C33B—H33B	120.0
Al1—O2A—C19A	153.3 (3)	C32B—C33B—C34B	120.0 (5)
Al1—O3A—C37A	141.1 (3)	H33B—C33B—C34B	120.0
Al1—O4A—C55A	137.3 (3)	C33B—C34B—H34B	120.5
O1A—C1A—C2A	118.6 (4)	C33B—C34B—C35B	119.1 (5)
O1A—C1A—C6A	121.1 (4)	H34B—C34B—C35B	120.5
C2A—C1A—C6A	120.3 (4)	C34B—C35B—H35B	119.7
C1A—C2A—C3A	118.2 (4)	C34B—C35B—C36B	120.5 (5)
C1A—C2A—C7A	121.7 (4)	H35B—C35B—C36B	119.7
C3A—C2A—C7A	120.1 (4)	C31B—C36B—C35B	121.7 (5)
C2A—C3A—H3A	119.2	C31B—C36B—H36B	119.2
C2A—C3A—C4A	121.5 (5)	C35B—C36B—H36B	119.2
H3A—C3A—C4A	119.2	O3B—C37B—C38B	119.6 (4)
C3A—C4A—H4A	120.3	O3B—C37B—C42B	120.1 (4)
C3A—C4A—C5A	119.4 (5)	C38B—C37B—C42B	120.3 (4)
H4A—C4A—C5A	120.3	C37B—C38B—C39B	119.1 (5)
C4A—C5A—H5A	119.0	C37B—C38B—C43B	120.9 (4)
C4A—C5A—C6A	122.0 (5)	C39B—C38B—C43B	120.0 (4)
H5A—C5A—C6A	119.0	C38B—C39B—H39B	119.4
C1A—C6A—C5A	118.4 (4)	C38B—C39B—C40B	121.2 (5)
C1A—C6A—C13A	121.6 (4)	H39B—C39B—C40B	119.4
C5A—C6A—C13A	120.0 (4)	C39B—C40B—H40B	120.0
C2A—C7A—C8A	120.9 (5)	C39B—C40B—C41B	120.0 (5)
C2A—C7A—C12A	121.1 (4)	H40B—C40B—C41B	120.0
C8A—C7A—C12A	117.9 (5)	C40B—C41B—H41B	119.2
C7A—C8A—H8A	119.3	C40B—C41B—C42B	121.7 (5)
C7A—C8A—C9A	121.5 (6)	H41B—C41B—C42B	119.2
H8A—C8A—C9A	119.3	C37B—C42B—C41B	117.7 (5)
C8A—C9A—H9A	120.0	C37B—C42B—C49B	122.1 (4)
C8A—C9A—C10A	120.0 (5)	C41B—C42B—C49B	120.3 (5)
H9A—C9A—C10A	120.0	C38B—C43B—C44B	121.0 (5)
C9A—C10A—H10A	120.2	C38B—C43B—C48B	121.5 (4)
C9A—C10A—C11A	119.6 (5)	C44B—C43B—C48B	117.4 (5)
H10A—C10A—C11A	120.2	C43B—C44B—H44B	119.3
C10A—C11A—H11A	119.7	C43B—C44B—C45B	121.4 (6)
C10A—C11A—C12A	120.5 (6)	H44B—C44B—C45B	119.3
H11A—C11A—C12A	119.7	C44B—C45B—H45B	119.9
C7A—C12A—C11A	120.5 (5)	C44B—C45B—C46B	120.1 (6)
C7A—C12A—H12A	119.8	H45B—C45B—C46B	119.9
C11A—C12A—H12A	119.8	C45B—C46B—H46B	120.5
C6A—C13A—C14A	121.6 (4)	C45B—C46B—C47B	119.0 (6)
C6A—C13A—C18A	120.3 (4)	H46B—C46B—C47B	120.5
C14A—C13A—C18A	118.1 (5)	C46B—C47B—H47B	119.1
C13A—C14A—H14A	119.5	C46B—C47B—C48B	121.9 (6)
C13A—C14A—C15A	121.1 (5)	H47B—C47B—C48B	119.1
H14A—C14A—C15A	119.5	C43B—C48B—C47B	120.2 (5)
C14A—C15A—H15A	120.1	C43B—C48B—H48B	119.9
C14A—C15A—C16A	119.7 (5)	C47B—C48B—H48B	119.9
H15A—C15A—C16A	120.1	C42B—C49B—C50B	122.6 (4)
C15A—C16A—H16A	120.1	C42B—C49B—C54B	119.6 (4)
C15A—C16A—C17A	119.7 (5)	C50B—C49B—C54B	117.8 (5)
H16A—C16A—C17A	120.1	C49B—C50B—H50B	119.5
C16A—C17A—H17A	119.8	C49B—C50B—C51B	121.1 (5)
C16A—C17A—C18A	120.4 (5)	H50B—C50B—C51B	119.5
H17A—C17A—C18A	119.8	C50B—C51B—H51B	119.6
C13A—C18A—C17A	121.0 (5)	C50B—C51B—C52B	120.8 (5)
C13A—C18A—H18A	119.5	H51B—C51B—C52B	119.6
C17A—C18A—H18A	119.5	C51B—C52B—H52B	120.6
O2A—C19A—C20A	118.8 (4)	C51B—C52B—C53B	118.8 (5)
O2A—C19A—C24A	121.1 (4)	H52B—C52B—C53B	120.6
C20A—C19A—C24A	120.0 (4)	C52B—C53B—H53B	119.8
C19A—C20A—C21A	118.5 (4)	C52B—C53B—C54B	120.4 (5)
C19A—C20A—C25A	121.0 (4)	H53B—C53B—C54B	119.8
C21A—C20A—C25A	120.5 (4)	C49B—C54B—C53B	121.1 (5)
C20A—C21A—H21A	118.9	C49B—C54B—H54B	119.4
C20A—C21A—C22A	122.1 (5)	C53B—C54B—H54B	119.4
H21A—C21A—C22A	118.9	O4B—C55B—H55B	114.6
C21A—C22A—H22A	120.7	O4B—C55B—C56B	130.8 (7)
C21A—C22A—C23A	118.7 (5)	H55B—C55B—C56B	114.6
H22A—C22A—C23A	120.7	C55B—C56B—H56B	116.3
C22A—C23A—H23A	119.1	C55B—C56B—C57B	127.4 (6)
C22A—C23A—C24A	121.8 (5)	H56B—C56B—C57B	116.3
H23A—C23A—C24A	119.1	C56B—C57B—H57B	116.4
C19A—C24A—C23A	118.9 (4)	C56B—C57B—C58B	127.2 (7)
C19A—C24A—C31A	122.0 (4)	H57B—C57B—C58B	116.4
C23A—C24A—C31A	119.1 (4)	C57B—C58B—C59B	127.1 (7)
C20A—C25A—C26A	121.3 (4)	C57B—C58B—C63B	114.0 (6)
C20A—C25A—C30A	121.1 (5)	C59B—C58B—C63B	118.5 (6)
C26A—C25A—C30A	117.6 (5)	C58B—C59B—H59B	117.8
C25A—C26A—H26A	119.9	C58B—C59B—C60B	124.3 (7)
C25A—C26A—C27A	120.2 (5)	H59B—C59B—C60B	117.8
H26A—C26A—C27A	119.9	C59B—C60B—H60B	119.8
C26A—C27A—H27A	119.0	C59B—C60B—C61B	120.4 (7)
C26A—C27A—C28A	122.0 (5)	H60B—C60B—C61B	119.8
H27A—C27A—C28A	119.0	C60B—C61B—H61B	120.2
C27A—C28A—H28A	120.7	C60B—C61B—C62B	119.6 (7)
C27A—C28A—C29A	118.5 (5)	H61B—C61B—C62B	120.2
H28A—C28A—C29A	120.7	C61B—C62B—H62B	120.3
C28A—C29A—H29A	119.9	C61B—C62B—C63B	119.3 (7)
C28A—C29A—C30A	120.3 (5)	H62B—C62B—C63B	120.3
H29A—C29A—C30A	119.9	C58B—C63B—C62B	117.3 (6)
C25A—C30A—C29A	121.4 (5)	C58B—C63B—H63B	121.3
C25A—C30A—H30A	119.3	C62B—C63B—H63B	121.3
C29A—C30A—H30A	119.3	O1C—Al3—O2C	111.56 (16)
C24A—C31A—C32A	121.2 (4)	O1C—Al3—O3C	114.11 (17)
C24A—C31A—C36A	120.2 (4)	O1C—Al3—O4C	108.20 (18)
C32A—C31A—C36A	118.6 (4)	O2C—Al3—O3C	111.44 (16)
C31A—C32A—H32A	119.8	O2C—Al3—O4C	105.07 (16)
C31A—C32A—C33A	120.4 (5)	O3C—Al3—O4C	105.83 (18)
H32A—C32A—C33A	119.8	Al3—O1C—C1C	149.6 (3)
C32A—C33A—H33A	119.7	Al3—O2C—C19C	139.8 (3)
C32A—C33A—C34A	120.5 (5)	Al3—O3C—C37C	140.5 (3)
H33A—C33A—C34A	119.7	Al3—O4C—C55C	140.8 (5)
C33A—C34A—H34A	120.3	O1C—C1C—C2C	120.9 (4)
C33A—C34A—C35A	119.3 (5)	O1C—C1C—C6C	119.2 (4)
H34A—C34A—C35A	120.3	C2C—C1C—C6C	119.9 (4)
C34A—C35A—H35A	119.8	C1C—C2C—C3C	118.3 (4)
C34A—C35A—C36A	120.4 (5)	C1C—C2C—C7C	121.6 (4)
H35A—C35A—C36A	119.8	C3C—C2C—C7C	120.1 (5)
C31A—C36A—C35A	120.8 (5)	C2C—C3C—H3C	119.0
C31A—C36A—H36A	119.6	C2C—C3C—C4C	122.0 (5)
C35A—C36A—H36A	119.6	H3C—C3C—C4C	119.0
O3A—C37A—C38A	121.1 (4)	C3C—C4C—H4C	120.2
O3A—C37A—C42A	118.5 (4)	C3C—C4C—C5C	119.7 (5)
C38A—C37A—C42A	120.3 (4)	H4C—C4C—C5C	120.2
C37A—C38A—C39A	117.6 (4)	C4C—C5C—H5C	119.4
C37A—C38A—C43A	122.5 (4)	C4C—C5C—C6C	121.2 (5)
C39A—C38A—C43A	119.9 (4)	H5C—C5C—C6C	119.4
C38A—C39A—H39A	118.7	C1C—C6C—C5C	118.9 (5)
C38A—C39A—C40A	122.5 (5)	C1C—C6C—C13C	121.3 (4)
H39A—C39A—C40A	118.7	C5C—C6C—C13C	119.8 (4)
C39A—C40A—H40A	120.5	C2C—C7C—C8C	119.0 (4)
C39A—C40A—C41A	119.0 (4)	C2C—C7C—C12C	122.9 (4)
H40A—C40A—C41A	120.5	C8C—C7C—C12C	118.1 (4)
C40A—C41A—H41A	119.3	C7C—C8C—H8C	119.9
C40A—C41A—C42A	121.3 (5)	C7C—C8C—C9C	120.1 (5)
H41A—C41A—C42A	119.3	H8C—C8C—C9C	119.9
C37A—C42A—C41A	119.1 (4)	C8C—C9C—H9C	119.5
C37A—C42A—C49A	121.2 (4)	C8C—C9C—C10C	121.0 (5)
C41A—C42A—C49A	119.7 (4)	H9C—C9C—C10C	119.5
C38A—C43A—C44A	119.5 (4)	C9C—C10C—H10C	120.1
C38A—C43A—C48A	121.1 (4)	C9C—C10C—C11C	119.9 (5)
C44A—C43A—C48A	119.4 (5)	H10C—C10C—C11C	120.1
C43A—C44A—H44A	120.1	C10C—C11C—H11C	119.9
C43A—C44A—C45A	119.8 (5)	C10C—C11C—C12C	120.1 (5)
H44A—C44A—C45A	120.1	H11C—C11C—C12C	119.9
C44A—C45A—H45A	119.7	C7C—C12C—C11C	120.8 (5)
C44A—C45A—C46A	120.5 (5)	C7C—C12C—H12C	119.6
H45A—C45A—C46A	119.7	C11C—C12C—H12C	119.6
C45A—C46A—H46A	120.1	C6C—C13C—C14C	120.4 (4)
C45A—C46A—C47A	119.9 (5)	C6C—C13C—C18C	120.5 (5)
H46A—C46A—C47A	120.1	C14C—C13C—C18C	119.1 (5)
C46A—C47A—H47A	119.9	C13C—C14C—H14C	120.3
C46A—C47A—C48A	120.2 (5)	C13C—C14C—C15C	119.4 (5)
H47A—C47A—C48A	119.9	H14C—C14C—C15C	120.3
C43A—C48A—C47A	120.0 (5)	C14C—C15C—H15C	119.3
C43A—C48A—H48A	120.0	C14C—C15C—C16C	121.5 (5)
C47A—C48A—H48A	120.0	H15C—C15C—C16C	119.3
C42A—C49A—C50A	121.2 (4)	C15C—C16C—H16C	120.5
C42A—C49A—C54A	120.7 (4)	C15C—C16C—C17C	119.1 (5)
C50A—C49A—C54A	118.1 (5)	H16C—C16C—C17C	120.5
C49A—C50A—H50A	119.1	C16C—C17C—H17C	119.8
C49A—C50A—C51A	121.8 (5)	C16C—C17C—C18C	120.4 (5)
H50A—C50A—C51A	119.1	H17C—C17C—C18C	119.8
C50A—C51A—H51A	120.5	C13C—C18C—C17C	120.5 (5)
C50A—C51A—C52A	119.0 (5)	C13C—C18C—H18C	119.8
H51A—C51A—C52A	120.5	C17C—C18C—H18C	119.8
C51A—C52A—H52A	119.7	O2C—C19C—C20C	121.7 (4)
C51A—C52A—C53A	120.5 (5)	O2C—C19C—C24C	118.0 (4)
H52A—C52A—C53A	119.7	C20C—C19C—C24C	120.3 (4)
C52A—C53A—H53A	119.9	C19C—C20C—C21C	118.6 (4)
C52A—C53A—C54A	120.2 (5)	C19C—C20C—C25C	121.9 (4)
H53A—C53A—C54A	119.9	C21C—C20C—C25C	119.4 (4)
C49A—C54A—C53A	120.5 (5)	C20C—C21C—H21C	119.2
C49A—C54A—H54A	119.8	C20C—C21C—C22C	121.6 (5)
C53A—C54A—H54A	119.8	H21C—C21C—C22C	119.2
O4A—C55A—H55A	119.6	C21C—C22C—H22C	120.4
O4A—C55A—C56A	120.8 (5)	C21C—C22C—C23C	119.2 (5)
H55A—C55A—C56A	119.6	H22C—C22C—C23C	120.4
C55A—C56A—H56A	119.7	C22C—C23C—H23C	119.0
C55A—C56A—C57A	120.5 (5)	C22C—C23C—C24C	121.9 (5)
H56A—C56A—C57A	119.7	H23C—C23C—C24C	119.0
C56A—C57A—H57A	117.3	C19C—C24C—C23C	118.3 (4)
C56A—C57A—C58A	125.5 (5)	C19C—C24C—C31C	121.3 (4)
H57A—C57A—C58A	117.3	C23C—C24C—C31C	120.4 (4)
C57A—C58A—C59A	119.8 (5)	C20C—C25C—C26C	119.9 (4)
C57A—C58A—C63A	122.0 (5)	C20C—C25C—C30C	122.3 (4)
C59A—C58A—C63A	118.2 (5)	C26C—C25C—C30C	117.8 (4)
C58A—C59A—H59A	119.2	C25C—C26C—H26C	119.7
C58A—C59A—C60A	121.5 (5)	C25C—C26C—C27C	120.5 (5)
H59A—C59A—C60A	119.2	H26C—C26C—C27C	119.7
C59A—C60A—H60A	120.4	C26C—C27C—H27C	119.8
C59A—C60A—C61A	119.2 (5)	C26C—C27C—C28C	120.5 (5)
H60A—C60A—C61A	120.4	H27C—C27C—C28C	119.8
C60A—C61A—H61A	119.8	C27C—C28C—H28C	119.9
C60A—C61A—C62A	120.4 (5)	C27C—C28C—C29C	120.2 (5)
H61A—C61A—C62A	119.8	H28C—C28C—C29C	119.9
C61A—C62A—H62A	119.7	C28C—C29C—H29C	119.9
C61A—C62A—C63A	120.6 (5)	C28C—C29C—C30C	120.2 (5)
H62A—C62A—C63A	119.7	H29C—C29C—C30C	119.9
C58A—C63A—C62A	119.8 (5)	C25C—C30C—C29C	120.7 (5)
C58A—C63A—H63A	120.1	C25C—C30C—H30C	119.7
C62A—C63A—H63A	120.1	C29C—C30C—H30C	119.7
O1B—Al2—O2B	110.73 (16)	C24C—C31C—C32C	120.4 (4)
O1B—Al2—O3B	113.25 (17)	C24C—C31C—C36C	120.6 (4)
O1B—Al2—O4B	104.29 (17)	C32C—C31C—C36C	119.0 (5)
O2B—Al2—O3B	113.21 (16)	C31C—C32C—H32C	119.6
O2B—Al2—O4B	105.71 (17)	C31C—C32C—C33C	120.8 (5)
O3B—Al2—O4B	108.97 (18)	H32C—C32C—C33C	119.6
Al2—O1B—C1B	145.1 (3)	C32C—C33C—H33C	119.8
Al2—O2B—C19B	136.8 (3)	C32C—C33C—C34C	120.4 (5)
Al2—O3B—C37B	149.5 (3)	H33C—C33C—C34C	119.8
Al2—O4B—C55B	145.4 (5)	C33C—C34C—H34C	120.4
O1B—C1B—C2B	118.4 (4)	C33C—C34C—C35C	119.1 (5)
O1B—C1B—C6B	120.7 (4)	H34C—C34C—C35C	120.4
C2B—C1B—C6B	120.9 (4)	C34C—C35C—H35C	119.8
C1B—C2B—C3B	118.5 (4)	C34C—C35C—C36C	120.4 (5)
C1B—C2B—C13B	121.0 (4)	H35C—C35C—C36C	119.8
C3B—C2B—C13B	120.4 (4)	C31C—C36C—C35C	120.3 (5)
C2B—C3B—H3B	119.3	C31C—C36C—H36C	119.8
C2B—C3B—C4B	121.3 (5)	C35C—C36C—H36C	119.8
H3B—C3B—C4B	119.3	O3C—C37C—C38C	121.2 (4)
C3B—C4B—H4B	120.3	O3C—C37C—C42C	118.8 (4)
C3B—C4B—C5B	119.5 (4)	C38C—C37C—C42C	120.0 (4)
H4B—C4B—C5B	120.3	C37C—C38C—C39C	119.0 (4)
C4B—C5B—H5B	119.1	C37C—C38C—C43C	121.2 (4)
C4B—C5B—C6B	121.7 (5)	C39C—C38C—C43C	119.7 (5)
H5B—C5B—C6B	119.1	C38C—C39C—H39C	119.3
C1B—C6B—C5B	118.0 (4)	C38C—C39C—C40C	121.4 (5)
C1B—C6B—C7B	123.2 (4)	H39C—C39C—C40C	119.3
C5B—C6B—C7B	118.8 (4)	C39C—C40C—H40C	120.2
C6B—C7B—C8B	121.9 (4)	C39C—C40C—C41C	119.6 (5)
C6B—C7B—C12B	120.1 (4)	H40C—C40C—C41C	120.2
C8B—C7B—C12B	118.0 (4)	C40C—C41C—H41C	119.2
C7B—C8B—H8B	119.6	C40C—C41C—C42C	121.5 (5)
C7B—C8B—C9B	120.8 (5)	H41C—C41C—C42C	119.2
H8B—C8B—C9B	119.6	C37C—C42C—C41C	118.5 (5)
C8B—C9B—H9B	120.0	C37C—C42C—C49C	122.0 (4)
C8B—C9B—C10B	119.9 (5)	C41C—C42C—C49C	119.5 (4)
H9B—C9B—C10B	120.0	C38C—C43C—C44C	121.9 (4)
C9B—C10B—H10B	120.1	C38C—C43C—C48C	119.9 (4)
C9B—C10B—C11B	119.8 (5)	C44C—C43C—C48C	118.3 (4)
H10B—C10B—C11B	120.1	C43C—C44C—H44C	119.9
C10B—C11B—H11B	119.9	C43C—C44C—C45C	120.1 (5)
C10B—C11B—C12B	120.1 (5)	H44C—C44C—C45C	119.9
H11B—C11B—C12B	119.9	C44C—C45C—H45C	119.8
C7B—C12B—C11B	121.3 (5)	C44C—C45C—C46C	120.5 (5)
C7B—C12B—H12B	119.4	H45C—C45C—C46C	119.8
C11B—C12B—H12B	119.4	C45C—C46C—H46C	120.1
C2B—C13B—C14B	120.3 (5)	C45C—C46C—C47C	119.9 (5)
C2B—C13B—C18B	121.7 (4)	H46C—C46C—C47C	120.1
C14B—C13B—C18B	117.9 (5)	C46C—C47C—H47C	119.4
C13B—C14B—H14B	119.9	C46C—C47C—C48C	121.3 (5)
C13B—C14B—C15B	120.2 (5)	H47C—C47C—C48C	119.4
H14B—C14B—C15B	119.9	C43C—C48C—C47C	119.9 (5)
C14B—C15B—H15B	119.5	C43C—C48C—H48C	120.0
C14B—C15B—C16B	121.0 (5)	C47C—C48C—H48C	120.0
H15B—C15B—C16B	119.5	C42C—C49C—C50C	120.3 (5)
C15B—C16B—H16B	120.3	C42C—C49C—C54C	121.1 (5)
C15B—C16B—C17B	119.4 (5)	C50C—C49C—C54C	118.6 (5)
H16B—C16B—C17B	120.3	C49C—C50C—H50C	120.0
C16B—C17B—H17B	120.1	C49C—C50C—C51C	120.0 (6)
C16B—C17B—C18B	119.8 (6)	H50C—C50C—C51C	120.0
H17B—C17B—C18B	120.1	C50C—C51C—H51C	119.3
C13B—C18B—C17B	121.6 (5)	C50C—C51C—C52C	121.5 (5)
C13B—C18B—H18B	119.2	H51C—C51C—C52C	119.3
C17B—C18B—H18B	119.2	C51C—C52C—H52C	121.1
O2B—C19B—C20B	120.7 (4)	C51C—C52C—C53C	117.9 (5)
O2B—C19B—C24B	118.7 (4)	H52C—C52C—C53C	121.1
C20B—C19B—C24B	120.6 (4)	C52C—C53C—H53C	119.0
C19B—C20B—C21B	118.4 (4)	C52C—C53C—C54C	122.0 (6)
C19B—C20B—C25B	121.6 (4)	H53C—C53C—C54C	119.0
C21B—C20B—C25B	120.0 (4)	C49C—C54C—C53C	120.0 (5)
C20B—C21B—H21B	119.5	C49C—C54C—H54C	120.0
C20B—C21B—C22B	121.1 (5)	C53C—C54C—H54C	120.0
H21B—C21B—C22B	119.5	O4C—C55C—H55C	117.4
C21B—C22B—H22B	120.0	O4C—C55C—C56C	125.2 (6)
C21B—C22B—C23B	119.9 (4)	H55C—C55C—C56C	117.4
H22B—C22B—C23B	120.0	C55C—C56C—H56C	118.3
C22B—C23B—H23B	119.4	C55C—C56C—C57C	123.4 (6)
C22B—C23B—C24B	121.3 (5)	H56C—C56C—C57C	118.3
H23B—C23B—C24B	119.4	C56C—C57C—H57C	115.7
C19B—C24B—C23B	118.6 (4)	C56C—C57C—C58C	128.6 (6)
C19B—C24B—C31B	121.1 (4)	H57C—C57C—C58C	115.7
C23B—C24B—C31B	120.2 (4)	C57C—C58C—C59C	119.7 (6)
C20B—C25B—C26B	119.9 (4)	C57C—C58C—C63C	120.4 (6)
C20B—C25B—C30B	121.7 (4)	C59C—C58C—C63C	119.1 (6)
C26B—C25B—C30B	118.4 (5)	C58C—C59C—H59C	119.5
C25B—C26B—H26B	119.8	C58C—C59C—C60C	120.9 (6)
C25B—C26B—C27B	120.4 (5)	H59C—C59C—C60C	119.5
H26B—C26B—C27B	119.8	C59C—C60C—H60C	120.9
C26B—C27B—H27B	119.7	C59C—C60C—C61C	118.2 (7)
C26B—C27B—C28B	120.5 (5)	H60C—C60C—C61C	120.9
H27B—C27B—C28B	119.7	C60C—C61C—H61C	120.0
C27B—C28B—H28B	120.1	C60C—C61C—C62C	120.1 (6)
C27B—C28B—C29B	119.7 (5)	H61C—C61C—C62C	120.0
H28B—C28B—C29B	120.1	C61C—C62C—H62C	120.8
C28B—C29B—H29B	119.9	C61C—C62C—C63C	118.4 (6)
C28B—C29B—C30B	120.2 (5)	H62C—C62C—C63C	120.8
H29B—C29B—C30B	119.9	C58C—C63C—C62C	122.9 (6)
C25B—C30B—C29B	120.7 (5)	C58C—C63C—H63C	118.6
C25B—C30B—H30B	119.6	C62C—C63C—H63C	118.6
C29B—C30B—H30B	119.6
O2A—Al1—O1A—C1A	−148.7 (4)	C30B—C25B—C26B—C27B	0.0 (7)
O3A—Al1—O1A—C1A	82.6 (5)	C25B—C26B—C27B—C28B	−1.8 (8)
O4A—Al1—O1A—C1A	−29.9 (5)	C26B—C27B—C28B—C29B	2.0 (9)
O1A—Al1—O2A—C19A	72.8 (7)	C27B—C28B—C29B—C30B	−0.4 (8)
O3A—Al1—O2A—C19A	−159.7 (7)	C20B—C25B—C30B—C29B	−177.0 (4)
O4A—Al1—O2A—C19A	−45.1 (7)	C26B—C25B—C30B—C29B	1.6 (7)
O1A—Al1—O3A—C37A	−160.7 (5)	C28B—C29B—C30B—C25B	−1.4 (8)
O2A—Al1—O3A—C37A	69.7 (5)	C19B—C24B—C31B—C32B	132.7 (5)
O4A—Al1—O3A—C37A	−47.1 (5)	C19B—C24B—C31B—C36B	−50.8 (7)
O1A—Al1—O4A—C55A	−112.1 (5)	C23B—C24B—C31B—C32B	−48.3 (7)
O2A—Al1—O4A—C55A	11.0 (5)	C23B—C24B—C31B—C36B	128.3 (5)
O3A—Al1—O4A—C55A	131.2 (5)	C24B—C31B—C32B—C33B	176.7 (5)
Al1—O1A—C1A—C2A	−105.7 (5)	C36B—C31B—C32B—C33B	−0.1 (7)
Al1—O1A—C1A—C6A	74.4 (6)	C31B—C32B—C33B—C34B	−0.2 (8)
O1A—C1A—C2A—C3A	178.5 (4)	C32B—C33B—C34B—C35B	−0.6 (9)
O1A—C1A—C2A—C7A	−1.8 (6)	C33B—C34B—C35B—C36B	1.7 (8)
C6A—C1A—C2A—C3A	−1.7 (7)	C34B—C35B—C36B—C31B	−2.0 (8)
C6A—C1A—C2A—C7A	178.0 (4)	C24B—C31B—C36B—C35B	−175.5 (4)
C1A—C2A—C3A—C4A	1.2 (7)	C32B—C31B—C36B—C35B	1.2 (7)
C7A—C2A—C3A—C4A	−178.5 (5)	Al2—O3B—C37B—C38B	−99.4 (7)
C2A—C3A—C4A—C5A	0.1 (8)	Al2—O3B—C37B—C42B	82.2 (7)
C3A—C4A—C5A—C6A	−1.0 (8)	O3B—C37B—C38B—C39B	179.0 (4)
C4A—C5A—C6A—C1A	0.5 (7)	O3B—C37B—C38B—C43B	−1.8 (7)
C4A—C5A—C6A—C13A	−178.3 (5)	C42B—C37B—C38B—C39B	−2.6 (7)
O1A—C1A—C6A—C5A	−179.3 (4)	C42B—C37B—C38B—C43B	176.6 (4)
O1A—C1A—C6A—C13A	−0.5 (7)	C37B—C38B—C39B—C40B	1.5 (7)
C2A—C1A—C6A—C5A	0.9 (7)	C43B—C38B—C39B—C40B	−177.7 (5)
C2A—C1A—C6A—C13A	179.7 (4)	C38B—C39B—C40B—C41B	0.4 (8)
C1A—C2A—C7A—C8A	133.2 (5)	C39B—C40B—C41B—C42B	−1.3 (8)
C1A—C2A—C7A—C12A	−48.2 (6)	C40B—C41B—C42B—C37B	0.2 (8)
C3A—C2A—C7A—C8A	−47.2 (7)	C40B—C41B—C42B—C49B	−179.1 (5)
C3A—C2A—C7A—C12A	131.5 (5)	O3B—C37B—C42B—C41B	−179.9 (4)
C2A—C7A—C8A—C9A	177.1 (5)	O3B—C37B—C42B—C49B	−0.6 (7)
C12A—C7A—C8A—C9A	−1.6 (8)	C38B—C37B—C42B—C41B	1.8 (7)
C7A—C8A—C9A—C10A	0.9 (8)	C38B—C37B—C42B—C49B	−178.9 (4)
C8A—C9A—C10A—C11A	−0.4 (8)	C37B—C38B—C43B—C44B	134.8 (5)
C9A—C10A—C11A—C12A	0.5 (8)	C37B—C38B—C43B—C48B	−46.9 (7)
C10A—C11A—C12A—C7A	−1.2 (8)	C39B—C38B—C43B—C44B	−46.0 (7)
C2A—C7A—C12A—C11A	−177.0 (5)	C39B—C38B—C43B—C48B	132.3 (5)
C8A—C7A—C12A—C11A	1.7 (7)	C38B—C43B—C44B—C45B	177.6 (5)
C1A—C6A—C13A—C14A	40.2 (7)	C48B—C43B—C44B—C45B	−0.7 (8)
C1A—C6A—C13A—C18A	−137.9 (5)	C43B—C44B—C45B—C46B	0.9 (9)
C5A—C6A—C13A—C14A	−141.1 (5)	C44B—C45B—C46B—C47B	−1.3 (9)
C5A—C6A—C13A—C18A	40.8 (7)	C45B—C46B—C47B—C48B	1.6 (9)
C6A—C13A—C14A—C15A	−176.8 (5)	C46B—C47B—C48B—C43B	−1.5 (9)
C18A—C13A—C14A—C15A	1.3 (7)	C38B—C43B—C48B—C47B	−177.3 (5)
C13A—C14A—C15A—C16A	−0.4 (8)	C44B—C43B—C48B—C47B	1.0 (8)
C14A—C15A—C16A—C17A	−1.4 (9)	C37B—C42B—C49B—C50B	38.8 (7)
C15A—C16A—C17A—C18A	2.3 (9)	C37B—C42B—C49B—C54B	−139.4 (5)
C16A—C17A—C18A—C13A	−1.3 (8)	C41B—C42B—C49B—C50B	−141.9 (5)
C6A—C13A—C18A—C17A	177.7 (5)	C41B—C42B—C49B—C54B	39.8 (7)
C14A—C13A—C18A—C17A	−0.5 (7)	C42B—C49B—C50B—C51B	−176.6 (4)
Al1—O2A—C19A—C20A	−92.8 (8)	C54B—C49B—C50B—C51B	1.6 (7)
Al1—O2A—C19A—C24A	86.6 (8)	C49B—C50B—C51B—C52B	−1.0 (8)
O2A—C19A—C20A—C21A	177.0 (4)	C50B—C51B—C52B—C53B	−0.8 (8)
O2A—C19A—C20A—C25A	−4.1 (6)	C51B—C52B—C53B—C54B	2.0 (8)
C24A—C19A—C20A—C21A	−2.5 (7)	C42B—C49B—C54B—C53B	177.9 (5)
C24A—C19A—C20A—C25A	176.5 (4)	C50B—C49B—C54B—C53B	−0.4 (8)
C19A—C20A—C21A—C22A	1.3 (7)	C52B—C53B—C54B—C49B	−1.4 (8)
C25A—C20A—C21A—C22A	−177.6 (5)	Al2—O4B—C55B—C56B	−168.5 (4)
C20A—C21A—C22A—C23A	0.5 (8)	O4B—C55B—C56B—C57B	172.9 (7)
C21A—C22A—C23A—C24A	−1.3 (8)	C55B—C56B—C57B—C58B	−173.3 (6)
C22A—C23A—C24A—C19A	0.2 (7)	C56B—C57B—C58B—C59B	−9.4 (12)
C22A—C23A—C24A—C31A	−179.2 (5)	C56B—C57B—C58B—C63B	163.4 (7)
O2A—C19A—C24A—C23A	−177.7 (4)	C57B—C58B—C59B—C60B	176.2 (7)
O2A—C19A—C24A—C31A	1.6 (7)	C63B—C58B—C59B—C60B	3.7 (12)
C20A—C19A—C24A—C23A	1.7 (7)	C58B—C59B—C60B—C61B	−8.2 (13)
C20A—C19A—C24A—C31A	−178.9 (4)	C59B—C60B—C61B—C62B	5.4 (13)
C19A—C20A—C25A—C26A	−48.7 (6)	C60B—C61B—C62B—C63B	1.2 (12)
C19A—C20A—C25A—C30A	132.9 (5)	C61B—C62B—C63B—C58B	−5.3 (12)
C21A—C20A—C25A—C26A	130.2 (5)	C57B—C58B—C63B—C62B	−170.4 (7)
C21A—C20A—C25A—C30A	−48.2 (7)	C59B—C58B—C63B—C62B	3.0 (11)
C20A—C25A—C26A—C27A	−178.1 (4)	O2C—Al3—O1C—C1C	−160.5 (6)
C30A—C25A—C26A—C27A	0.4 (7)	O3C—Al3—O1C—C1C	72.1 (7)
C25A—C26A—C27A—C28A	0.0 (8)	O4C—Al3—O1C—C1C	−45.4 (7)
C26A—C27A—C28A—C29A	−0.4 (8)	O1C—Al3—O2C—C19C	73.8 (5)
C27A—C28A—C29A—C30A	0.5 (9)	O3C—Al3—O2C—C19C	−157.4 (4)
C20A—C25A—C30A—C29A	178.1 (5)	O4C—Al3—O2C—C19C	−43.2 (5)
C26A—C25A—C30A—C29A	−0.3 (8)	O1C—Al3—O3C—C37C	−149.0 (5)
C28A—C29A—C30A—C25A	−0.1 (9)	O2C—Al3—O3C—C37C	83.5 (5)
C19A—C24A—C31A—C32A	36.8 (7)	O4C—Al3—O3C—C37C	−30.2 (5)
C19A—C24A—C31A—C36A	−141.7 (5)	O1C—Al3—O4C—C55C	17.6 (7)
C23A—C24A—C31A—C32A	−143.9 (5)	O2C—Al3—O4C—C55C	136.9 (6)
C23A—C24A—C31A—C36A	37.6 (7)	O3C—Al3—O4C—C55C	−105.1 (7)
C24A—C31A—C32A—C33A	−176.3 (4)	Al3—O1C—C1C—C2C	86.1 (7)
C36A—C31A—C32A—C33A	2.1 (7)	Al3—O1C—C1C—C6C	−96.3 (7)
C31A—C32A—C33A—C34A	−1.5 (8)	O1C—C1C—C2C—C3C	−179.2 (4)
C32A—C33A—C34A—C35A	−0.4 (8)	O1C—C1C—C2C—C7C	0.7 (7)
C33A—C34A—C35A—C36A	1.5 (9)	C6C—C1C—C2C—C3C	3.1 (7)
C34A—C35A—C36A—C31A	−0.8 (9)	C6C—C1C—C2C—C7C	−176.9 (4)
C24A—C31A—C36A—C35A	177.5 (5)	C1C—C2C—C3C—C4C	−0.6 (8)
C32A—C31A—C36A—C35A	−1.0 (8)	C7C—C2C—C3C—C4C	179.4 (5)
Al1—O3A—C37A—C38A	79.0 (6)	C2C—C3C—C4C—C5C	−0.9 (8)
Al1—O3A—C37A—C42A	−103.2 (5)	C3C—C4C—C5C—C6C	−0.2 (8)
O3A—C37A—C38A—C39A	−178.6 (4)	C4C—C5C—C6C—C1C	2.7 (7)
O3A—C37A—C38A—C43A	−0.2 (7)	C4C—C5C—C6C—C13C	−177.6 (5)
C42A—C37A—C38A—C39A	3.6 (7)	O1C—C1C—C6C—C5C	178.1 (4)
C42A—C37A—C38A—C43A	−177.9 (4)	O1C—C1C—C6C—C13C	−1.6 (7)
C37A—C38A—C39A—C40A	−1.7 (7)	C2C—C1C—C6C—C5C	−4.2 (7)
C43A—C38A—C39A—C40A	179.8 (5)	C2C—C1C—C6C—C13C	176.1 (4)
C38A—C39A—C40A—C41A	0.1 (8)	C1C—C2C—C7C—C8C	−142.3 (5)
C39A—C40A—C41A—C42A	−0.3 (8)	C1C—C2C—C7C—C12C	36.9 (7)
C40A—C41A—C42A—C37A	2.2 (7)	C3C—C2C—C7C—C8C	37.7 (7)
C40A—C41A—C42A—C49A	−176.1 (4)	C3C—C2C—C7C—C12C	−143.1 (5)
O3A—C37A—C42A—C41A	178.3 (4)	C2C—C7C—C8C—C9C	178.3 (4)
O3A—C37A—C42A—C49A	−3.5 (6)	C12C—C7C—C8C—C9C	−1.0 (7)
C38A—C37A—C42A—C41A	−3.9 (7)	C7C—C8C—C9C—C10C	−1.3 (8)
C38A—C37A—C42A—C49A	174.3 (4)	C8C—C9C—C10C—C11C	2.0 (8)
C37A—C38A—C43A—C44A	−142.0 (5)	C9C—C10C—C11C—C12C	−0.3 (8)
C37A—C38A—C43A—C48A	38.4 (7)	C2C—C7C—C12C—C11C	−176.6 (4)
C39A—C38A—C43A—C44A	36.4 (7)	C8C—C7C—C12C—C11C	2.7 (7)
C39A—C38A—C43A—C48A	−143.2 (5)	C10C—C11C—C12C—C7C	−2.1 (8)
C38A—C43A—C44A—C45A	−179.9 (4)	C1C—C6C—C13C—C14C	−48.9 (7)
C48A—C43A—C44A—C45A	−0.3 (7)	C1C—C6C—C13C—C18C	131.4 (5)
C43A—C44A—C45A—C46A	−2.5 (8)	C5C—C6C—C13C—C14C	131.4 (5)
C44A—C45A—C46A—C47A	2.8 (8)	C5C—C6C—C13C—C18C	−48.3 (7)
C45A—C46A—C47A—C48A	−0.3 (8)	C6C—C13C—C14C—C15C	−178.5 (5)
C38A—C43A—C48A—C47A	−177.6 (4)	C18C—C13C—C14C—C15C	1.3 (7)
C44A—C43A—C48A—C47A	2.8 (7)	C13C—C14C—C15C—C16C	−0.1 (8)
C46A—C47A—C48A—C43A	−2.5 (8)	C14C—C15C—C16C—C17C	−1.5 (9)
C37A—C42A—C49A—C50A	130.2 (5)	C15C—C16C—C17C—C18C	1.8 (8)
C37A—C42A—C49A—C54A	−52.7 (6)	C16C—C17C—C18C—C13C	−0.7 (8)
C41A—C42A—C49A—C50A	−51.6 (7)	C6C—C13C—C18C—C17C	178.9 (5)
C41A—C42A—C49A—C54A	125.5 (5)	C14C—C13C—C18C—C17C	−0.9 (7)
C42A—C49A—C50A—C51A	175.4 (4)	Al3—O2C—C19C—C20C	76.3 (6)
C54A—C49A—C50A—C51A	−1.7 (7)	Al3—O2C—C19C—C24C	−104.6 (5)
C49A—C50A—C51A—C52A	0.6 (8)	O2C—C19C—C20C—C21C	−179.2 (4)
C50A—C51A—C52A—C53A	0.1 (8)	O2C—C19C—C20C—C25C	1.6 (7)
C51A—C52A—C53A—C54A	0.3 (8)	C24C—C19C—C20C—C21C	1.8 (7)
C52A—C53A—C54A—C49A	−1.5 (8)	C24C—C19C—C20C—C25C	−177.4 (4)
C42A—C49A—C54A—C53A	−175.0 (4)	C19C—C20C—C21C—C22C	0.8 (7)
C50A—C49A—C54A—C53A	2.1 (7)	C25C—C20C—C21C—C22C	180.0 (4)
Al1—O4A—C55A—C56A	−171.1 (3)	C20C—C21C—C22C—C23C	−2.0 (8)
O4A—C55A—C56A—C57A	173.3 (5)	C21C—C22C—C23C—C24C	0.7 (8)
C55A—C56A—C57A—C58A	−172.2 (4)	C22C—C23C—C24C—C19C	1.7 (7)
C56A—C57A—C58A—C59A	162.3 (5)	C22C—C23C—C24C—C31C	−177.0 (5)
C56A—C57A—C58A—C63A	−18.2 (8)	O2C—C19C—C24C—C23C	177.9 (4)
C57A—C58A—C59A—C60A	−174.4 (5)	O2C—C19C—C24C—C31C	−3.4 (6)
C63A—C58A—C59A—C60A	6.0 (8)	C20C—C19C—C24C—C23C	−3.0 (7)
C58A—C59A—C60A—C61A	−4.6 (8)	C20C—C19C—C24C—C31C	175.7 (4)
C59A—C60A—C61A—C62A	0.8 (8)	C19C—C20C—C25C—C26C	−141.0 (5)
C60A—C61A—C62A—C63A	1.3 (8)	C19C—C20C—C25C—C30C	37.0 (7)
C61A—C62A—C63A—C58A	0.3 (8)	C21C—C20C—C25C—C26C	39.8 (7)
C57A—C58A—C63A—C62A	176.6 (5)	C21C—C20C—C25C—C30C	−142.2 (5)
C59A—C58A—C63A—C62A	−3.8 (7)	C20C—C25C—C26C—C27C	178.3 (5)
O2B—Al2—O1B—C1B	−159.8 (5)	C30C—C25C—C26C—C27C	0.1 (7)
O3B—Al2—O1B—C1B	71.8 (6)	C25C—C26C—C27C—C28C	−2.6 (8)
O4B—Al2—O1B—C1B	−46.5 (6)	C26C—C27C—C28C—C29C	2.4 (8)
O1B—Al2—O2B—C19B	79.7 (5)	C27C—C28C—C29C—C30C	0.3 (8)
O3B—Al2—O2B—C19B	−151.9 (4)	C28C—C29C—C30C—C25C	−2.9 (8)
O4B—Al2—O2B—C19B	−32.6 (5)	C20C—C25C—C30C—C29C	−175.5 (4)
O1B—Al2—O3B—C37B	−154.3 (6)	C26C—C25C—C30C—C29C	2.6 (7)
O2B—Al2—O3B—C37B	78.5 (7)	C19C—C24C—C31C—C32C	131.6 (5)
O4B—Al2—O3B—C37B	−38.8 (7)	C19C—C24C—C31C—C36C	−51.9 (7)
O1B—Al2—O4B—C55B	128.2 (8)	C23C—C24C—C31C—C32C	−49.7 (7)
O2B—Al2—O4B—C55B	−115.0 (8)	C23C—C24C—C31C—C36C	126.8 (5)
O3B—Al2—O4B—C55B	7.0 (8)	C24C—C31C—C32C—C33C	176.3 (5)
Al2—O1B—C1B—C2B	−101.4 (6)	C36C—C31C—C32C—C33C	−0.3 (8)
Al2—O1B—C1B—C6B	78.0 (6)	C31C—C32C—C33C—C34C	−1.3 (8)
O1B—C1B—C2B—C3B	177.4 (4)	C32C—C33C—C34C—C35C	1.1 (8)
O1B—C1B—C2B—C13B	−4.6 (6)	C33C—C34C—C35C—C36C	0.5 (8)
C6B—C1B—C2B—C3B	−2.1 (7)	C34C—C35C—C36C—C31C	−2.0 (8)
C6B—C1B—C2B—C13B	176.0 (4)	C24C—C31C—C36C—C35C	−174.7 (5)
C1B—C2B—C3B—C4B	1.8 (7)	C32C—C31C—C36C—C35C	1.9 (7)
C13B—C2B—C3B—C4B	−176.2 (5)	Al3—O3C—C37C—C38C	75.2 (6)
C2B—C3B—C4B—C5B	−0.6 (8)	Al3—O3C—C37C—C42C	−105.4 (5)
C3B—C4B—C5B—C6B	−0.4 (8)	O3C—C37C—C38C—C39C	180.0 (4)
C4B—C5B—C6B—C1B	0.1 (7)	O3C—C37C—C38C—C43C	−0.9 (7)
C4B—C5B—C6B—C7B	179.0 (4)	C42C—C37C—C38C—C39C	0.5 (7)
O1B—C1B—C6B—C5B	−178.4 (4)	C42C—C37C—C38C—C43C	179.6 (4)
O1B—C1B—C6B—C7B	2.9 (7)	C37C—C38C—C39C—C40C	0.4 (7)
C2B—C1B—C6B—C5B	1.1 (7)	C43C—C38C—C39C—C40C	−178.7 (5)
C2B—C1B—C6B—C7B	−177.7 (4)	C38C—C39C—C40C—C41C	−0.5 (8)
C1B—C6B—C7B—C8B	36.3 (7)	C39C—C40C—C41C—C42C	−0.3 (8)
C1B—C6B—C7B—C12B	−143.4 (5)	C40C—C41C—C42C—C37C	1.2 (7)
C5B—C6B—C7B—C8B	−142.5 (5)	C40C—C41C—C42C—C49C	−178.1 (5)
C5B—C6B—C7B—C12B	37.8 (6)	O3C—C37C—C42C—C41C	179.2 (4)
C6B—C7B—C8B—C9B	−177.3 (4)	O3C—C37C—C42C—C49C	−1.5 (7)
C12B—C7B—C8B—C9B	2.4 (7)	C38C—C37C—C42C—C41C	−1.3 (7)
C7B—C8B—C9B—C10B	−2.2 (8)	C38C—C37C—C42C—C49C	178.0 (4)
C8B—C9B—C10B—C11B	−0.3 (8)	C37C—C38C—C43C—C44C	41.1 (7)
C9B—C10B—C11B—C12B	2.6 (8)	C37C—C38C—C43C—C48C	−138.8 (5)
C10B—C11B—C12B—C7B	−2.4 (8)	C39C—C38C—C43C—C44C	−139.8 (5)
C6B—C7B—C12B—C11B	179.6 (5)	C39C—C38C—C43C—C48C	40.3 (7)
C8B—C7B—C12B—C11B	−0.1 (7)	C38C—C43C—C44C—C45C	−177.1 (5)
C1B—C2B—C13B—C14B	132.4 (5)	C48C—C43C—C44C—C45C	2.8 (7)
C1B—C2B—C13B—C18B	−51.2 (7)	C43C—C44C—C45C—C46C	−1.9 (8)
C3B—C2B—C13B—C14B	−49.6 (7)	C44C—C45C—C46C—C47C	−0.3 (9)
C3B—C2B—C13B—C18B	126.7 (5)	C45C—C46C—C47C—C48C	1.5 (9)
C2B—C13B—C14B—C15B	176.5 (5)	C46C—C47C—C48C—C43C	−0.6 (9)
C18B—C13B—C14B—C15B	0.0 (7)	C38C—C43C—C48C—C47C	178.3 (5)
C13B—C14B—C15B—C16B	−0.5 (8)	C44C—C43C—C48C—C47C	−1.6 (7)
C14B—C15B—C16B—C17B	−0.6 (9)	C37C—C42C—C49C—C50C	135.1 (5)
C15B—C16B—C17B—C18B	2.1 (10)	C37C—C42C—C49C—C54C	−47.0 (7)
C2B—C13B—C18B—C17B	−174.8 (5)	C41C—C42C—C49C—C50C	−45.7 (7)
C14B—C13B—C18B—C17B	1.6 (8)	C41C—C42C—C49C—C54C	132.2 (5)
C16B—C17B—C18B—C13B	−2.6 (9)	C42C—C49C—C50C—C51C	178.4 (5)
Al2—O2B—C19B—C20B	76.0 (6)	C54C—C49C—C50C—C51C	0.5 (8)
Al2—O2B—C19B—C24B	−105.4 (5)	C49C—C50C—C51C—C52C	−1.0 (9)
O2B—C19B—C20B—C21B	−178.7 (4)	C50C—C51C—C52C—C53C	0.4 (9)
O2B—C19B—C20B—C25B	−0.6 (7)	C51C—C52C—C53C—C54C	0.7 (9)
C24B—C19B—C20B—C21B	2.7 (7)	C42C—C49C—C54C—C53C	−177.3 (5)
C24B—C19B—C20B—C25B	−179.2 (4)	C50C—C49C—C54C—C53C	0.7 (8)
C19B—C20B—C21B—C22B	−0.7 (7)	C52C—C53C—C54C—C49C	−1.3 (9)
C25B—C20B—C21B—C22B	−178.9 (4)	Al3—O4C—C55C—C56C	−174.2 (4)
C20B—C21B—C22B—C23B	−0.9 (7)	O4C—C55C—C56C—C57C	170.7 (6)
C21B—C22B—C23B—C24B	0.5 (8)	C55C—C56C—C57C—C58C	−178.1 (6)
C22B—C23B—C24B—C19B	1.4 (7)	C56C—C57C—C58C—C59C	−13.7 (12)
C22B—C23B—C24B—C31B	−177.6 (4)	C56C—C57C—C58C—C63C	155.6 (7)
O2B—C19B—C24B—C23B	178.3 (4)	C57C—C58C—C59C—C60C	172.2 (7)
O2B—C19B—C24B—C31B	−2.7 (7)	C63C—C58C—C59C—C60C	2.8 (12)
C20B—C19B—C24B—C23B	−3.0 (7)	C58C—C59C—C60C—C61C	−1.6 (11)
C20B—C19B—C24B—C31B	176.0 (4)	C59C—C60C—C61C—C62C	3.4 (11)
C19B—C20B—C25B—C26B	−138.3 (5)	C60C—C61C—C62C—C63C	−6.6 (12)
C19B—C20B—C25B—C30B	40.2 (7)	C61C—C62C—C63C—C58C	8.1 (13)
C21B—C20B—C25B—C26B	39.8 (6)	C57C—C58C—C63C—C62C	−175.7 (8)
C21B—C20B—C25B—C30B	−141.7 (5)	C59C—C58C—C63C—C62C	−6.3 (13)
C20B—C25B—C26B—C27B	178.6 (5)