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The title compound, [Al(C5H7O2)3], was reinvestigated at 110 K to provide information on thermal vibrations in the structure, comparing it to the previously published structure by McClelland [Acta Cryst. (1975), B31, 2496–2498] based on room-temperature data. The γ-polymorph contains four independent mol­ecules in the asymmetric unit with their centers of gravity at pseudo-special positions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047106/kp2065sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047106/kp2065Isup2.hkl
Contains datablock I

CCDC reference: 630043

Key indicators

  • Single-crystal X-ray study
  • T = 110 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.031
  • wR factor = 0.076
  • Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.630 0.970 Tmin(prime) and Tmax expected: 0.934 0.965 RR(prime) = 0.671 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.67
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O54 - C124 .. 5.60 su PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C51
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 27.50 From the CIF: _reflns_number_total 14519 Count of symmetry unique reflns 7870 Completeness (_total/calc) 184.49% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 6649 Fraction of Friedel pairs measured 0.845 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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

Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: PEAKREF (Schreurs, 2005); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: coordinates where taken from the literature (McClelland, 1975); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

γ-Tris(2,4-pentanedionato-κ2O,O')aluminium(III) top
Crystal data top
[Al(C5H7O2)3]F(000) = 2752
Mr = 324.30Dx = 1.313 Mg m3
Orthorhombic, Pna21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2nCell parameters from 40506 reflections
a = 15.51663 (18) Åθ = 1.5–27.5°
b = 31.9596 (7) ŵ = 0.15 mm1
c = 13.2306 (2) ÅT = 110 K
V = 6561.14 (19) Å3Block, colourless
Z = 160.45 × 0.36 × 0.24 mm
Data collection top
Nonius KappaCCD
diffractometer
14519 independent reflections
Radiation source: rotating anode12829 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
h = 2020
Tmin = 0.63, Tmax = 0.97k = 4141
83015 measured reflectionsl = 1516
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031H-atom parameters constrained
wR(F2) = 0.076 w = 1/[σ2(Fo2) + (0.0396P)2 + 1.1373P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.002
14519 reflectionsΔρmax = 0.21 e Å3
817 parametersΔρmin = 0.23 e Å3
1 restraintAbsolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.08 (8)
Special details top

Experimental. The X-ray intensities were obtained with two different exposure times and rotation angles of 0.5°. 728 φ and 453 ω scans were measured with an exposure time of 20 s per frame, and 728 φ scans with an exposure time of 4 s per frame.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Al10.65761 (3)0.750251 (15)0.75254 (4)0.01728 (10)
O110.73511 (7)0.78052 (4)0.83562 (9)0.0207 (2)
O210.63232 (7)0.79927 (3)0.67996 (9)0.0211 (2)
O310.56846 (7)0.76263 (4)0.84421 (9)0.0217 (3)
O410.58240 (7)0.71950 (3)0.66937 (9)0.0209 (3)
O510.68325 (8)0.70302 (4)0.83181 (9)0.0221 (3)
O610.74629 (7)0.73705 (4)0.66049 (9)0.0207 (3)
C110.80108 (12)0.83452 (6)0.92929 (14)0.0305 (4)
H11A0.78870.81950.99220.046*
H11B0.79350.86460.94020.046*
H11C0.86060.82890.90860.046*
C210.74029 (11)0.81995 (5)0.84768 (13)0.0217 (4)
C310.69605 (11)0.84890 (6)0.78912 (14)0.0254 (4)
H310.70030.87770.80580.031*
C410.64563 (11)0.83716 (5)0.70668 (14)0.0229 (4)
C510.60343 (13)0.86985 (6)0.64217 (15)0.0316 (4)
H51A0.62430.86730.57250.047*
H51B0.61760.89770.66830.047*
H51C0.54080.86590.64350.047*
C610.43370 (12)0.76725 (6)0.92502 (14)0.0264 (4)
H61A0.45180.75350.98770.040*
H61B0.37330.76040.91100.040*
H61C0.43980.79760.93240.040*
C710.48893 (11)0.75244 (5)0.83945 (13)0.0187 (3)
C810.45361 (11)0.72873 (5)0.76134 (13)0.0221 (4)
H810.39370.72260.76350.027*
C910.50146 (11)0.71351 (5)0.68042 (13)0.0197 (3)
C1010.45860 (13)0.68844 (6)0.59898 (15)0.0301 (4)
H10A0.46370.70320.53440.045*
H10B0.39750.68470.61560.045*
H10C0.48650.66100.59370.045*
C1110.75447 (13)0.64605 (7)0.90654 (16)0.0378 (5)
H11D0.79160.65750.95960.057*
H11E0.78000.62020.88020.057*
H11F0.69740.64000.93470.057*
C1210.74595 (11)0.67748 (5)0.82206 (14)0.0243 (4)
C1310.80325 (11)0.67771 (6)0.74196 (14)0.0270 (4)
H1310.84670.65680.73980.032*
C1410.80030 (11)0.70723 (5)0.66405 (13)0.0211 (4)
C1510.86329 (12)0.70424 (6)0.57818 (14)0.0270 (4)
H15A0.84960.67970.53670.041*
H15B0.92180.70150.60520.041*
H15C0.85960.72960.53670.041*
Al20.62769 (3)0.499722 (15)0.77252 (4)0.01731 (11)
O120.57541 (8)0.54903 (4)0.82216 (9)0.0228 (3)
O220.69187 (7)0.53108 (3)0.67777 (9)0.0202 (2)
O320.56757 (7)0.46780 (4)0.86801 (9)0.0203 (2)
O420.53798 (7)0.49384 (3)0.67699 (9)0.0191 (2)
O520.71710 (8)0.50556 (4)0.86784 (10)0.0247 (3)
O620.67907 (7)0.45154 (4)0.71755 (9)0.0200 (3)
C120.52432 (13)0.61838 (6)0.83727 (16)0.0311 (4)
H12A0.47080.62200.79900.047*
H12B0.55550.64500.84000.047*
H12C0.51070.60920.90610.047*
C220.57964 (11)0.58598 (5)0.78615 (13)0.0211 (4)
C320.63125 (11)0.59766 (5)0.70471 (14)0.0238 (4)
H320.62850.62570.68120.029*
C420.68645 (10)0.56995 (5)0.65654 (13)0.0189 (3)
C520.74705 (12)0.58504 (6)0.57544 (14)0.0248 (4)
H52A0.80600.58560.60200.037*
H52B0.73030.61330.55420.037*
H52C0.74430.56610.51740.037*
C620.46818 (12)0.42259 (6)0.94637 (14)0.0275 (4)
H62A0.50860.39940.95690.041*
H62B0.41030.41140.93400.041*
H62C0.46720.44041.00670.041*
C720.49648 (11)0.44800 (5)0.85672 (13)0.0196 (3)
C820.44763 (11)0.44880 (5)0.76937 (14)0.0231 (4)
H820.39590.43290.76780.028*
C920.47017 (10)0.47172 (5)0.68290 (13)0.0188 (3)
C1020.41357 (12)0.47018 (6)0.59119 (13)0.0246 (4)
H10D0.42290.49540.55030.037*
H10E0.35310.46880.61220.037*
H10F0.42780.44530.55110.037*
C1120.85090 (13)0.50064 (8)0.95024 (16)0.0399 (6)
H11G0.84680.53100.95900.060*
H11H0.90990.49320.93070.060*
H11I0.83620.48671.01390.060*
C1220.78970 (12)0.48696 (6)0.86945 (14)0.0269 (4)
C1320.81193 (12)0.45460 (6)0.80364 (14)0.0289 (4)
H1320.86810.44300.80840.035*
C1420.75595 (11)0.43851 (5)0.73145 (14)0.0231 (4)
C1520.78368 (12)0.40343 (6)0.66313 (16)0.0321 (4)
H15D0.74070.38100.66530.048*
H15E0.83950.39260.68580.048*
H15F0.78890.41390.59370.048*
Al30.87006 (3)0.746298 (14)0.25325 (4)0.01511 (10)
O130.83064 (8)0.79136 (3)0.33194 (9)0.0212 (3)
O230.94153 (7)0.78205 (3)0.17648 (9)0.0205 (2)
O330.79772 (7)0.71105 (3)0.32921 (9)0.0181 (2)
O430.78300 (7)0.75544 (3)0.15675 (9)0.0189 (3)
O530.95846 (7)0.73829 (4)0.34932 (9)0.0189 (2)
O630.90934 (7)0.70078 (3)0.17629 (9)0.0181 (2)
C130.80575 (13)0.85824 (6)0.39919 (15)0.0325 (5)
H13A0.74490.86110.38050.049*
H13B0.83330.88580.39820.049*
H13C0.81000.84630.46720.049*
C230.85020 (11)0.82987 (5)0.32496 (14)0.0224 (4)
C330.90720 (11)0.84616 (5)0.25425 (15)0.0270 (4)
H330.91830.87540.25510.032*
C430.94880 (11)0.82176 (5)0.18243 (14)0.0212 (4)
C531.00629 (13)0.84201 (6)0.10489 (16)0.0322 (4)
H53A1.06570.83240.11460.048*
H53B1.00390.87250.11260.048*
H53C0.98670.83430.03700.048*
C630.67250 (12)0.68216 (6)0.40290 (15)0.0283 (4)
H63A0.69980.65460.40660.042*
H63B0.61130.67880.38660.042*
H63C0.67830.69640.46820.042*
C730.71554 (10)0.70778 (5)0.32201 (13)0.0187 (3)
C830.66684 (11)0.72514 (5)0.24484 (13)0.0203 (3)
H830.60600.72190.24690.024*
C930.70317 (11)0.74721 (5)0.16412 (13)0.0188 (3)
C1030.64693 (12)0.76198 (7)0.07901 (15)0.0293 (4)
H10G0.65430.79220.07000.044*
H10H0.58650.75590.09490.044*
H10I0.66320.74750.01660.044*
C1131.08043 (11)0.71301 (6)0.43682 (13)0.0243 (4)
H11J1.08300.74160.46320.036*
H11K1.13790.70440.41420.036*
H11L1.06060.69410.49020.036*
C1231.01891 (10)0.71133 (5)0.34938 (13)0.0184 (3)
C1331.02887 (11)0.68080 (5)0.27470 (14)0.0225 (4)
H1331.07590.66190.28020.027*
C1430.97364 (11)0.67663 (5)0.19296 (13)0.0197 (3)
C1530.98714 (12)0.64249 (6)0.11653 (14)0.0277 (4)
H15G0.93300.63720.08060.042*
H15H1.00570.61690.15110.042*
H15I1.03150.65110.06810.042*
Al40.85160 (3)0.502911 (14)0.27429 (4)0.01582 (10)
O140.91160 (7)0.53816 (3)0.36461 (9)0.0191 (2)
O240.79353 (8)0.54916 (3)0.21765 (9)0.0197 (3)
O340.76535 (8)0.49602 (4)0.37354 (9)0.0197 (3)
O440.79253 (7)0.46830 (3)0.18328 (9)0.0196 (2)
O540.90955 (7)0.45678 (3)0.32921 (9)0.0195 (2)
O640.93961 (7)0.51086 (3)0.17732 (9)0.0196 (2)
C140.96511 (11)0.59669 (5)0.45221 (13)0.0231 (4)
H14A0.95210.58450.51840.035*
H14B0.95570.62700.45460.035*
H14C1.02530.59100.43470.035*
C240.90703 (10)0.57767 (5)0.37371 (13)0.0173 (3)
C340.85360 (11)0.60322 (5)0.31573 (13)0.0209 (4)
H340.85310.63240.32910.025*
C440.80106 (10)0.58789 (5)0.23928 (13)0.0174 (3)
C540.74977 (11)0.61761 (5)0.17551 (15)0.0261 (4)
H54A0.74250.60580.10760.039*
H54B0.78020.64440.17090.039*
H54C0.69310.62200.20630.039*
C640.63895 (12)0.47484 (6)0.45920 (14)0.0277 (4)
H64A0.65440.45060.50070.042*
H64B0.57840.47270.43890.042*
H64C0.64750.50050.49830.042*
C740.69486 (11)0.47590 (5)0.36672 (13)0.0200 (3)
C840.66827 (11)0.45474 (5)0.27997 (14)0.0248 (4)
H840.61320.44170.28030.030*
C940.71784 (11)0.45176 (5)0.19348 (13)0.0204 (4)
C1040.68604 (13)0.42727 (6)0.10407 (14)0.0297 (4)
H10J0.68350.44560.04470.044*
H10K0.62840.41630.11850.044*
H10L0.72550.40400.09070.044*
C1141.01393 (13)0.40687 (6)0.37211 (16)0.0325 (4)
H11M1.01800.41550.44300.049*
H11N1.07040.39720.34860.049*
H11O0.97200.38410.36580.049*
C1240.98516 (12)0.44343 (5)0.30890 (13)0.0217 (4)
C1341.03821 (11)0.46024 (5)0.23510 (14)0.0240 (4)
H1341.09430.44880.22670.029*
C1441.01284 (11)0.49335 (5)0.17219 (13)0.0188 (3)
C1541.07308 (11)0.50938 (6)0.09211 (13)0.0247 (4)
H15J1.05600.49810.02620.037*
H15K1.13200.50050.10770.037*
H15L1.07050.54000.09020.037*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Al10.0159 (2)0.0208 (2)0.0151 (3)0.00029 (18)0.0006 (2)0.0020 (2)
O110.0169 (6)0.0271 (6)0.0181 (6)0.0016 (5)0.0023 (5)0.0012 (5)
O210.0243 (6)0.0205 (6)0.0185 (6)0.0013 (5)0.0045 (5)0.0033 (5)
O310.0157 (6)0.0316 (6)0.0180 (6)0.0003 (5)0.0006 (5)0.0066 (5)
O410.0215 (6)0.0224 (6)0.0187 (6)0.0013 (5)0.0011 (5)0.0046 (5)
O510.0207 (6)0.0263 (6)0.0191 (6)0.0001 (5)0.0023 (5)0.0024 (5)
O610.0193 (6)0.0260 (6)0.0170 (6)0.0034 (5)0.0024 (5)0.0013 (5)
C110.0263 (10)0.0399 (11)0.0254 (10)0.0094 (8)0.0050 (8)0.0072 (8)
C210.0166 (8)0.0315 (9)0.0169 (9)0.0043 (7)0.0010 (7)0.0023 (7)
C310.0286 (9)0.0230 (8)0.0247 (10)0.0014 (7)0.0037 (8)0.0059 (7)
C410.0215 (8)0.0236 (8)0.0236 (10)0.0019 (7)0.0011 (7)0.0023 (7)
C510.0411 (11)0.0234 (9)0.0303 (11)0.0048 (8)0.0118 (9)0.0043 (8)
C610.0207 (9)0.0377 (10)0.0208 (10)0.0027 (8)0.0012 (8)0.0044 (8)
C710.0162 (8)0.0223 (8)0.0177 (9)0.0032 (6)0.0008 (7)0.0047 (7)
C810.0165 (8)0.0267 (8)0.0231 (9)0.0004 (6)0.0032 (7)0.0005 (8)
C910.0221 (8)0.0168 (7)0.0203 (9)0.0010 (6)0.0049 (7)0.0017 (7)
C1010.0300 (10)0.0328 (10)0.0276 (10)0.0060 (8)0.0052 (8)0.0080 (8)
C1110.0315 (11)0.0467 (12)0.0351 (12)0.0043 (9)0.0015 (9)0.0205 (10)
C1210.0215 (9)0.0259 (8)0.0254 (10)0.0003 (7)0.0062 (8)0.0041 (8)
C1310.0210 (8)0.0308 (9)0.0292 (10)0.0080 (7)0.0007 (8)0.0047 (8)
C1410.0171 (8)0.0256 (8)0.0205 (9)0.0012 (6)0.0024 (7)0.0056 (7)
C1510.0230 (9)0.0340 (10)0.0240 (10)0.0013 (8)0.0037 (8)0.0059 (8)
Al20.0198 (3)0.0182 (2)0.0139 (2)0.00274 (19)0.0018 (2)0.00085 (19)
O120.0278 (7)0.0209 (6)0.0198 (6)0.0036 (5)0.0071 (5)0.0010 (5)
O220.0229 (6)0.0198 (6)0.0178 (6)0.0025 (5)0.0049 (5)0.0004 (5)
O320.0213 (6)0.0234 (6)0.0161 (6)0.0045 (5)0.0009 (5)0.0032 (5)
O420.0183 (6)0.0232 (6)0.0159 (6)0.0009 (5)0.0016 (5)0.0023 (5)
O520.0238 (7)0.0337 (7)0.0166 (7)0.0084 (5)0.0007 (5)0.0005 (5)
O620.0201 (6)0.0194 (6)0.0205 (6)0.0002 (5)0.0002 (5)0.0011 (5)
C120.0306 (10)0.0251 (9)0.0375 (11)0.0010 (7)0.0088 (9)0.0080 (8)
C220.0200 (8)0.0204 (8)0.0229 (9)0.0034 (6)0.0007 (7)0.0039 (7)
C320.0271 (9)0.0191 (8)0.0252 (10)0.0019 (7)0.0016 (8)0.0015 (7)
C420.0178 (8)0.0246 (8)0.0144 (8)0.0055 (6)0.0047 (7)0.0015 (7)
C520.0246 (9)0.0279 (9)0.0218 (9)0.0047 (7)0.0038 (8)0.0064 (8)
C620.0289 (10)0.0280 (9)0.0255 (10)0.0073 (8)0.0013 (8)0.0072 (8)
C720.0205 (8)0.0162 (7)0.0221 (9)0.0000 (6)0.0032 (7)0.0004 (7)
C820.0206 (8)0.0248 (8)0.0238 (9)0.0067 (6)0.0005 (7)0.0011 (7)
C920.0182 (8)0.0191 (7)0.0191 (9)0.0040 (6)0.0006 (7)0.0028 (7)
C1020.0237 (9)0.0310 (9)0.0192 (9)0.0019 (7)0.0035 (7)0.0020 (8)
C1120.0293 (11)0.0703 (16)0.0201 (11)0.0173 (10)0.0047 (9)0.0057 (10)
C1220.0220 (9)0.0424 (11)0.0162 (9)0.0114 (8)0.0003 (7)0.0117 (8)
C1320.0197 (9)0.0380 (10)0.0291 (11)0.0022 (8)0.0007 (8)0.0091 (9)
C1420.0221 (9)0.0252 (8)0.0220 (9)0.0006 (7)0.0025 (7)0.0092 (7)
C1520.0283 (10)0.0318 (10)0.0360 (11)0.0068 (8)0.0073 (9)0.0018 (9)
Al30.0155 (2)0.0152 (2)0.0146 (3)0.00115 (17)0.0001 (2)0.00059 (19)
O130.0267 (6)0.0173 (5)0.0195 (6)0.0042 (5)0.0031 (5)0.0009 (5)
O230.0208 (6)0.0213 (6)0.0194 (6)0.0027 (5)0.0034 (5)0.0007 (5)
O330.0182 (6)0.0189 (5)0.0171 (6)0.0008 (4)0.0007 (5)0.0027 (5)
O430.0161 (6)0.0232 (6)0.0173 (6)0.0027 (5)0.0005 (5)0.0041 (5)
O530.0188 (6)0.0215 (6)0.0163 (6)0.0020 (5)0.0012 (5)0.0020 (5)
O630.0181 (5)0.0194 (5)0.0169 (6)0.0033 (4)0.0012 (5)0.0035 (5)
C130.0428 (11)0.0253 (9)0.0294 (11)0.0112 (8)0.0032 (9)0.0101 (8)
C230.0261 (9)0.0196 (8)0.0215 (9)0.0055 (7)0.0080 (8)0.0048 (7)
C330.0304 (9)0.0148 (7)0.0358 (11)0.0015 (7)0.0045 (8)0.0013 (8)
C430.0189 (8)0.0224 (8)0.0223 (9)0.0039 (6)0.0084 (7)0.0064 (7)
C530.0311 (10)0.0335 (10)0.0321 (11)0.0103 (8)0.0019 (9)0.0070 (9)
C630.0253 (9)0.0313 (10)0.0283 (10)0.0027 (8)0.0032 (8)0.0104 (8)
C730.0201 (8)0.0169 (7)0.0190 (9)0.0001 (6)0.0029 (7)0.0022 (7)
C830.0153 (7)0.0236 (8)0.0220 (9)0.0001 (6)0.0005 (7)0.0006 (7)
C930.0181 (8)0.0213 (8)0.0170 (9)0.0050 (6)0.0002 (7)0.0014 (7)
C1030.0192 (9)0.0478 (11)0.0208 (10)0.0064 (8)0.0010 (7)0.0085 (9)
C1130.0227 (9)0.0312 (9)0.0190 (9)0.0013 (7)0.0038 (7)0.0008 (7)
C1230.0161 (8)0.0217 (8)0.0173 (9)0.0011 (6)0.0004 (7)0.0032 (7)
C1330.0205 (8)0.0237 (8)0.0234 (9)0.0073 (6)0.0033 (7)0.0028 (7)
C1430.0184 (8)0.0189 (8)0.0219 (9)0.0014 (6)0.0028 (7)0.0014 (7)
C1530.0289 (10)0.0283 (9)0.0260 (10)0.0086 (8)0.0039 (8)0.0097 (8)
Al40.0189 (2)0.0153 (2)0.0132 (3)0.00033 (18)0.0013 (2)0.00142 (19)
O140.0217 (6)0.0174 (5)0.0182 (6)0.0009 (4)0.0042 (5)0.0013 (5)
O240.0216 (6)0.0183 (6)0.0192 (6)0.0007 (5)0.0055 (5)0.0012 (5)
O340.0212 (6)0.0236 (6)0.0143 (6)0.0002 (5)0.0003 (5)0.0043 (5)
O440.0246 (6)0.0188 (5)0.0153 (6)0.0019 (5)0.0001 (5)0.0040 (5)
O540.0225 (6)0.0188 (5)0.0172 (6)0.0031 (5)0.0022 (5)0.0014 (5)
O640.0219 (6)0.0213 (5)0.0155 (6)0.0007 (5)0.0003 (5)0.0019 (5)
C140.0242 (9)0.0226 (8)0.0225 (9)0.0038 (7)0.0029 (8)0.0043 (7)
C240.0173 (8)0.0193 (8)0.0153 (8)0.0044 (6)0.0043 (7)0.0027 (7)
C340.0258 (9)0.0138 (7)0.0232 (9)0.0024 (6)0.0022 (7)0.0014 (7)
C440.0159 (7)0.0194 (7)0.0169 (8)0.0005 (6)0.0041 (7)0.0034 (7)
C540.0271 (9)0.0217 (8)0.0295 (10)0.0016 (7)0.0079 (8)0.0082 (8)
C640.0278 (10)0.0334 (10)0.0220 (10)0.0009 (8)0.0044 (8)0.0000 (8)
C740.0222 (8)0.0174 (8)0.0203 (9)0.0020 (6)0.0002 (7)0.0020 (7)
C840.0239 (9)0.0271 (9)0.0236 (9)0.0071 (7)0.0008 (8)0.0024 (7)
C940.0253 (9)0.0163 (7)0.0196 (9)0.0008 (6)0.0046 (7)0.0001 (7)
C1040.0367 (11)0.0283 (9)0.0239 (10)0.0073 (8)0.0056 (8)0.0067 (8)
C1140.0374 (11)0.0293 (10)0.0308 (11)0.0127 (8)0.0013 (9)0.0068 (8)
C1240.0282 (9)0.0199 (8)0.0171 (9)0.0056 (7)0.0055 (7)0.0041 (7)
C1340.0220 (8)0.0278 (9)0.0221 (9)0.0051 (7)0.0008 (7)0.0007 (7)
C1440.0200 (8)0.0219 (8)0.0144 (8)0.0036 (6)0.0038 (7)0.0063 (7)
C1540.0241 (9)0.0330 (10)0.0171 (9)0.0030 (7)0.0001 (7)0.0018 (7)
Geometric parameters (Å, º) top
Al1—O211.8790 (12)Al3—O631.8773 (12)
Al1—O511.8806 (13)Al3—O131.8794 (12)
Al1—O411.8811 (12)Al3—O331.8812 (12)
Al1—O311.8819 (13)Al3—O431.8816 (13)
Al1—O611.8853 (13)Al3—O531.8874 (13)
Al1—O111.8947 (12)Al3—O231.8887 (12)
O11—C211.273 (2)O13—C231.271 (2)
O21—C411.278 (2)O23—C431.2764 (19)
O31—C711.278 (2)O33—C731.283 (2)
O41—C911.279 (2)O43—C931.270 (2)
O51—C1211.277 (2)O53—C1231.2737 (19)
O61—C1411.270 (2)O63—C1431.2806 (19)
C11—C211.508 (2)C13—C231.504 (2)
C11—H11A0.9800C13—H13A0.9800
C11—H11B0.9800C13—H13B0.9800
C11—H11C0.9800C13—H13C0.9800
C21—C311.388 (3)C23—C331.389 (3)
C31—C411.394 (2)C33—C431.388 (3)
C31—H310.9500C33—H330.9500
C41—C511.500 (2)C43—C531.506 (3)
C51—H51A0.9800C53—H53A0.9800
C51—H51B0.9800C53—H53B0.9800
C51—H51C0.9800C53—H53C0.9800
C61—C711.497 (2)C63—C731.504 (2)
C61—H61A0.9800C63—H63A0.9800
C61—H61B0.9800C63—H63B0.9800
C61—H61C0.9800C63—H63C0.9800
C71—C811.394 (2)C73—C831.386 (2)
C81—C911.391 (2)C83—C931.399 (2)
C81—H810.9500C83—H830.9500
C91—C1011.498 (2)C93—C1031.501 (2)
C101—H10A0.9800C103—H10G0.9800
C101—H10B0.9800C103—H10H0.9800
C101—H10C0.9800C103—H10I0.9800
C111—C1211.509 (2)C113—C1231.501 (2)
C111—H11D0.9800C113—H11J0.9800
C111—H11E0.9800C113—H11K0.9800
C111—H11F0.9800C113—H11L0.9800
C121—C1311.383 (3)C123—C1331.397 (2)
C131—C1411.398 (3)C133—C1431.386 (2)
C131—H1310.9500C133—H1330.9500
C141—C1511.502 (2)C143—C1531.502 (2)
C151—H15A0.9800C153—H15G0.9800
C151—H15B0.9800C153—H15H0.9800
C151—H15C0.9800C153—H15I0.9800
Al2—O321.8728 (13)Al4—O541.8736 (12)
Al2—O621.8805 (12)Al4—O441.8744 (12)
Al2—O521.8842 (13)Al4—O241.8863 (12)
Al2—O221.8888 (12)Al4—O341.8877 (13)
Al2—O421.8896 (13)Al4—O141.8878 (12)
Al2—O121.8901 (12)Al4—O641.8909 (13)
O12—C221.275 (2)O14—C241.2704 (19)
O22—C421.276 (2)O24—C441.2759 (19)
O32—C721.280 (2)O34—C741.272 (2)
O42—C921.2700 (19)O44—C941.281 (2)
O52—C1221.274 (2)O54—C1241.277 (2)
O62—C1421.277 (2)O64—C1441.269 (2)
C12—C221.505 (2)C14—C241.504 (2)
C12—H12A0.9800C14—H14A0.9800
C12—H12B0.9800C14—H14B0.9800
C12—H12C0.9800C14—H14C0.9800
C22—C321.393 (2)C24—C341.394 (2)
C32—C421.387 (2)C34—C441.388 (2)
C32—H320.9500C34—H340.9500
C42—C521.506 (2)C44—C541.499 (2)
C52—H52A0.9800C54—H54A0.9800
C52—H52B0.9800C54—H54B0.9800
C52—H52C0.9800C54—H54C0.9800
C62—C721.503 (2)C64—C741.500 (2)
C62—H62A0.9800C64—H64A0.9800
C62—H62B0.9800C64—H64B0.9800
C62—H62C0.9800C64—H64C0.9800
C72—C821.382 (3)C74—C841.395 (2)
C82—C921.403 (2)C84—C941.382 (3)
C82—H820.9500C84—H840.9500
C92—C1021.499 (2)C94—C1041.502 (2)
C102—H10D0.9800C104—H10J0.9800
C102—H10E0.9800C104—H10K0.9800
C102—H10F0.9800C104—H10L0.9800
C112—C1221.495 (3)C114—C1241.505 (2)
C112—H11G0.9800C114—H11M0.9800
C112—H11H0.9800C114—H11N0.9800
C112—H11I0.9800C114—H11O0.9800
C122—C1321.395 (3)C124—C1341.385 (2)
C132—C1421.390 (3)C134—C1441.403 (2)
C132—H1320.9500C134—H1340.9500
C142—C1521.503 (3)C144—C1541.503 (2)
C152—H15D0.9800C154—H15J0.9800
C152—H15E0.9800C154—H15K0.9800
C152—H15F0.9800C154—H15L0.9800
O21—Al1—O51176.78 (6)O63—Al3—O13179.18 (6)
O21—Al1—O4190.40 (5)O63—Al3—O3391.11 (5)
O51—Al1—O4192.19 (6)O13—Al3—O3388.22 (5)
O21—Al1—O3190.03 (6)O63—Al3—O4389.16 (5)
O51—Al1—O3187.98 (6)O13—Al3—O4391.33 (6)
O41—Al1—O3191.76 (5)O33—Al3—O4391.56 (5)
O21—Al1—O6190.51 (6)O63—Al3—O5391.39 (5)
O51—Al1—O6191.51 (5)O13—Al3—O5388.13 (6)
O41—Al1—O6187.59 (6)O33—Al3—O5389.58 (5)
O31—Al1—O61179.17 (6)O43—Al3—O53178.73 (6)
O21—Al1—O1190.19 (5)O63—Al3—O2389.22 (5)
O51—Al1—O1187.25 (6)O13—Al3—O2391.45 (5)
O41—Al1—O11178.91 (6)O33—Al3—O23179.32 (6)
O31—Al1—O1189.16 (5)O43—Al3—O2387.86 (5)
O61—Al1—O1191.48 (5)O53—Al3—O2391.00 (5)
C21—O11—Al1128.20 (11)C23—O13—Al3128.62 (12)
C41—O21—Al1127.93 (12)C43—O23—Al3128.33 (12)
C71—O31—Al1128.64 (11)C73—O33—Al3127.02 (11)
C91—O41—Al1128.36 (11)C93—O43—Al3128.02 (11)
C121—O51—Al1128.17 (12)C123—O53—Al3128.86 (11)
C141—O61—Al1128.72 (12)C143—O63—Al3128.81 (11)
C21—C11—H11A109.5C23—C13—H13A109.5
C21—C11—H11B109.5C23—C13—H13B109.5
H11A—C11—H11B109.5H13A—C13—H13B109.5
C21—C11—H11C109.5C23—C13—H13C109.5
H11A—C11—H11C109.5H13A—C13—H13C109.5
H11B—C11—H11C109.5H13B—C13—H13C109.5
O11—C21—C31123.97 (16)O13—C23—C33124.34 (16)
O11—C21—C11115.81 (16)O13—C23—C13115.27 (16)
C31—C21—C11120.20 (16)C33—C23—C13120.39 (16)
C21—C31—C41122.32 (16)C43—C33—C23123.13 (16)
C21—C31—H31118.8C43—C33—H33118.4
C41—C31—H31118.8C23—C33—H33118.4
O21—C41—C31124.22 (16)O23—C43—C33124.02 (16)
O21—C41—C51115.60 (15)O23—C43—C53115.96 (16)
C31—C41—C51120.18 (16)C33—C43—C53120.02 (16)
C41—C51—H51A109.5C43—C53—H53A109.5
C41—C51—H51B109.5C43—C53—H53B109.5
H51A—C51—H51B109.5H53A—C53—H53B109.5
C41—C51—H51C109.5C43—C53—H53C109.5
H51A—C51—H51C109.5H53A—C53—H53C109.5
H51B—C51—H51C109.5H53B—C53—H53C109.5
C71—C61—H61A109.5C73—C63—H63A109.5
C71—C61—H61B109.5C73—C63—H63B109.5
H61A—C61—H61B109.5H63A—C63—H63B109.5
C71—C61—H61C109.5C73—C63—H63C109.5
H61A—C61—H61C109.5H63A—C63—H63C109.5
H61B—C61—H61C109.5H63B—C63—H63C109.5
O31—C71—C81123.70 (16)O33—C73—C83124.33 (16)
O31—C71—C61115.78 (15)O33—C73—C63115.64 (15)
C81—C71—C61120.51 (15)C83—C73—C63120.00 (15)
C91—C81—C71123.43 (15)C73—C83—C93123.01 (15)
C91—C81—H81118.3C73—C83—H83118.5
C71—C81—H81118.3C93—C83—H83118.5
O41—C91—C81124.06 (15)O43—C93—C83123.78 (15)
O41—C91—C101115.70 (15)O43—C93—C103116.39 (15)
C81—C91—C101120.24 (16)C83—C93—C103119.82 (15)
C91—C101—H10A109.5C93—C103—H10G109.5
C91—C101—H10B109.5C93—C103—H10H109.5
H10A—C101—H10B109.5H10G—C103—H10H109.5
C91—C101—H10C109.5C93—C103—H10I109.5
H10A—C101—H10C109.5H10G—C103—H10I109.5
H10B—C101—H10C109.5H10H—C103—H10I109.5
C121—C111—H11D109.5C123—C113—H11J109.5
C121—C111—H11E109.5C123—C113—H11K109.5
H11D—C111—H11E109.5H11J—C113—H11K109.5
C121—C111—H11F109.5C123—C113—H11L109.5
H11D—C111—H11F109.5H11J—C113—H11L109.5
H11E—C111—H11F109.5H11K—C113—H11L109.5
O51—C121—C131124.33 (16)O53—C123—C133123.60 (15)
O51—C121—C111114.68 (16)O53—C123—C113116.40 (15)
C131—C121—C111120.98 (16)C133—C123—C113119.99 (15)
C121—C131—C141123.18 (16)C143—C133—C123123.40 (15)
C121—C131—H131118.4C143—C133—H133118.3
C141—C131—H131118.4C123—C133—H133118.3
O61—C141—C131123.74 (16)O63—C143—C133123.91 (15)
O61—C141—C151116.69 (16)O63—C143—C153115.51 (15)
C131—C141—C151119.57 (15)C133—C143—C153120.58 (15)
C141—C151—H15A109.5C143—C153—H15G109.5
C141—C151—H15B109.5C143—C153—H15H109.5
H15A—C151—H15B109.5H15G—C153—H15H109.5
C141—C151—H15C109.5C143—C153—H15I109.5
H15A—C151—H15C109.5H15G—C153—H15I109.5
H15B—C151—H15C109.5H15H—C153—H15I109.5
O32—Al2—O6291.49 (5)O54—Al4—O4491.11 (5)
O32—Al2—O5288.24 (6)O54—Al4—O24179.41 (6)
O62—Al2—O5291.59 (6)O44—Al4—O2488.49 (5)
O32—Al2—O22178.04 (6)O54—Al4—O3488.77 (5)
O62—Al2—O2287.38 (5)O44—Al4—O3491.80 (5)
O52—Al2—O2290.20 (5)O24—Al4—O3491.67 (6)
O32—Al2—O4291.72 (5)O54—Al4—O1489.28 (5)
O62—Al2—O4288.40 (5)O44—Al4—O14179.29 (6)
O52—Al2—O42179.95 (8)O24—Al4—O1491.11 (5)
O22—Al2—O4289.84 (5)O34—Al4—O1488.80 (6)
O32—Al2—O1290.34 (6)O54—Al4—O6491.27 (5)
O62—Al2—O12177.58 (6)O44—Al4—O6489.80 (6)
O52—Al2—O1290.05 (6)O24—Al4—O6488.29 (6)
O22—Al2—O1290.84 (5)O34—Al4—O64178.40 (6)
O42—Al2—O1289.95 (6)O14—Al4—O6489.61 (5)
C22—O12—Al2128.33 (11)C24—O14—Al4128.72 (11)
C42—O22—Al2128.88 (11)C44—O24—Al4128.86 (11)
C72—O32—Al2128.30 (11)C74—O34—Al4128.26 (12)
C92—O42—Al2128.65 (11)C94—O44—Al4128.19 (11)
C122—O52—Al2128.03 (13)C124—O54—Al4128.48 (11)
C142—O62—Al2127.41 (12)C144—O64—Al4128.61 (11)
C22—C12—H12A109.5C24—C14—H14A109.5
C22—C12—H12B109.5C24—C14—H14B109.5
H12A—C12—H12B109.5H14A—C14—H14B109.5
C22—C12—H12C109.5C24—C14—H14C109.5
H12A—C12—H12C109.5H14A—C14—H14C109.5
H12B—C12—H12C109.5H14B—C14—H14C109.5
O12—C22—C32124.52 (16)O14—C24—C34124.29 (15)
O12—C22—C12116.09 (16)O14—C24—C14115.72 (15)
C32—C22—C12119.39 (15)C34—C24—C14119.98 (14)
C42—C32—C22122.61 (16)C44—C34—C24122.92 (15)
C42—C32—H32118.7C44—C34—H34118.5
C22—C32—H32118.7C24—C34—H34118.5
O22—C42—C32124.13 (16)O24—C44—C34124.02 (15)
O22—C42—C52115.30 (15)O24—C44—C54116.10 (15)
C32—C42—C52120.55 (15)C34—C44—C54119.88 (14)
C42—C52—H52A109.5C44—C54—H54A109.5
C42—C52—H52B109.5C44—C54—H54B109.5
H52A—C52—H52B109.5H54A—C54—H54B109.5
C42—C52—H52C109.5C44—C54—H54C109.5
H52A—C52—H52C109.5H54A—C54—H54C109.5
H52B—C52—H52C109.5H54B—C54—H54C109.5
C72—C62—H62A109.5C74—C64—H64A109.5
C72—C62—H62B109.5C74—C64—H64B109.5
H62A—C62—H62B109.5H64A—C64—H64B109.5
C72—C62—H62C109.5C74—C64—H64C109.5
H62A—C62—H62C109.5H64A—C64—H64C109.5
H62B—C62—H62C109.5H64B—C64—H64C109.5
O32—C72—C82124.10 (16)O34—C74—C84123.91 (16)
O32—C72—C62115.26 (16)O34—C74—C64116.80 (16)
C82—C72—C62120.64 (15)C84—C74—C64119.28 (15)
C72—C82—C92123.70 (15)C94—C84—C74123.38 (16)
C72—C82—H82118.2C94—C84—H84118.3
C92—C82—H82118.1C74—C84—H84118.3
O42—C92—C82123.19 (16)O44—C94—C84124.22 (15)
O42—C92—C102117.00 (15)O44—C94—C104115.42 (16)
C82—C92—C102119.81 (15)C84—C94—C104120.35 (16)
C92—C102—H10D109.5C94—C104—H10J109.5
C92—C102—H10E109.5C94—C104—H10K109.5
H10D—C102—H10E109.5H10J—C104—H10K109.5
C92—C102—H10F109.5C94—C104—H10L109.5
H10D—C102—H10F109.5H10J—C104—H10L109.5
H10E—C102—H10F109.5H10K—C104—H10L109.5
C122—C112—H11G109.5C124—C114—H11M109.5
C122—C112—H11H109.5C124—C114—H11N109.5
H11G—C112—H11H109.5H11M—C114—H11N109.5
C122—C112—H11I109.5C124—C114—H11O109.5
H11G—C112—H11I109.5H11M—C114—H11O109.5
H11H—C112—H11I109.5H11N—C114—H11O109.5
O52—C122—C132123.65 (17)O54—C124—C134124.38 (16)
O52—C122—C112115.92 (19)O54—C124—C114114.52 (16)
C132—C122—C112120.39 (18)C134—C124—C114121.10 (16)
C142—C132—C122123.28 (17)C124—C134—C144122.96 (16)
C142—C132—H132118.4C124—C134—H134118.5
C122—C132—H132118.4C144—C134—H134118.5
O62—C142—C132124.21 (17)O64—C144—C134123.53 (16)
O62—C142—C152115.09 (16)O64—C144—C154116.39 (15)
C132—C142—C152120.70 (16)C134—C144—C154120.07 (16)
C142—C152—H15D109.5C144—C154—H15J109.5
C142—C152—H15E109.5C144—C154—H15K109.5
H15D—C152—H15E109.5H15J—C154—H15K109.5
C142—C152—H15F109.5C144—C154—H15L109.5
H15D—C152—H15F109.5H15J—C154—H15L109.5
H15E—C152—H15F109.5H15K—C154—H15L109.5
O21—Al1—O11—C2117.31 (14)O33—Al3—O13—C23178.38 (14)
O51—Al1—O11—C21160.74 (14)O43—Al3—O13—C2386.86 (15)
O31—Al1—O11—C2172.72 (14)O53—Al3—O13—C2391.99 (15)
O61—Al1—O11—C21107.82 (14)O23—Al3—O13—C231.03 (15)
O41—Al1—O21—C41162.60 (14)O63—Al3—O23—C43177.29 (14)
O31—Al1—O21—C4170.83 (15)O13—Al3—O23—C433.18 (15)
O61—Al1—O21—C41109.80 (15)O43—Al3—O23—C4388.10 (15)
O11—Al1—O21—C4118.32 (15)O53—Al3—O23—C4391.34 (14)
O21—Al1—O31—C7188.92 (14)O63—Al3—O33—C73105.09 (14)
O51—Al1—O31—C7193.61 (15)O13—Al3—O33—C7375.39 (14)
O41—Al1—O31—C711.49 (15)O43—Al3—O33—C7315.89 (14)
O11—Al1—O31—C71179.11 (14)O53—Al3—O33—C73163.54 (14)
O21—Al1—O41—C9188.09 (14)O63—Al3—O43—C93105.22 (14)
O51—Al1—O41—C9190.00 (14)O13—Al3—O43—C9374.12 (14)
O31—Al1—O41—C911.96 (14)O33—Al3—O43—C9314.13 (14)
O61—Al1—O41—C91178.58 (14)O23—Al3—O43—C93165.52 (14)
O41—Al1—O51—C12194.10 (15)O63—Al3—O53—C1231.73 (14)
O31—Al1—O51—C121174.21 (15)O13—Al3—O53—C123178.94 (14)
O61—Al1—O51—C1216.45 (15)O33—Al3—O53—C12392.83 (14)
O11—Al1—O51—C12184.96 (15)O23—Al3—O53—C12387.52 (14)
O21—Al1—O61—C141174.81 (14)O33—Al3—O63—C14389.97 (14)
O51—Al1—O61—C1412.68 (15)O43—Al3—O63—C143178.49 (14)
O41—Al1—O61—C14194.81 (15)O53—Al3—O63—C1430.37 (14)
O11—Al1—O61—C14184.61 (14)O23—Al3—O63—C14390.62 (14)
Al1—O11—C21—C319.6 (2)Al3—O13—C23—C330.1 (3)
Al1—O11—C21—C11172.33 (11)Al3—O13—C23—C13179.05 (12)
O11—C21—C31—C414.2 (3)O13—C23—C33—C430.5 (3)
C11—C21—C31—C41173.73 (16)C13—C23—C33—C43178.59 (17)
Al1—O21—C41—C3111.9 (3)Al3—O23—C43—C334.4 (3)
Al1—O21—C41—C51168.64 (13)Al3—O23—C43—C53175.25 (12)
C21—C31—C41—O213.1 (3)C23—C33—C43—O232.7 (3)
C21—C31—C41—C51176.34 (17)C23—C33—C43—C53176.92 (16)
Al1—O31—C71—C810.7 (2)Al3—O33—C73—C8310.9 (2)
Al1—O31—C71—C61179.91 (12)Al3—O33—C73—C63170.83 (12)
O31—C71—C81—C910.3 (3)O33—C73—C83—C932.1 (3)
C61—C71—C81—C91179.08 (16)C63—C73—C83—C93176.16 (16)
Al1—O41—C91—C811.7 (2)Al3—O43—C93—C837.1 (2)
Al1—O41—C91—C101178.18 (12)Al3—O43—C93—C103173.90 (12)
C71—C81—C91—O410.2 (3)C73—C83—C93—O434.1 (3)
C71—C81—C91—C101179.62 (16)C73—C83—C93—C103174.90 (16)
Al1—O51—C121—C1317.2 (3)Al3—O53—C123—C1331.6 (2)
Al1—O51—C121—C111172.42 (13)Al3—O53—C123—C113179.55 (11)
O51—C121—C131—C1412.4 (3)O53—C123—C133—C1430.3 (3)
C111—C121—C131—C141177.26 (18)C113—C123—C133—C143178.50 (16)
Al1—O61—C141—C1310.5 (3)Al3—O63—C143—C1331.1 (2)
Al1—O61—C141—C151179.13 (11)Al3—O63—C143—C153179.29 (12)
C121—C131—C141—O611.6 (3)C123—C133—C143—O631.7 (3)
C121—C131—C141—C151177.96 (17)C123—C133—C143—C153178.72 (16)
O32—Al2—O12—C22172.97 (15)O54—Al4—O14—C24179.47 (14)
O52—Al2—O12—C2298.79 (15)O24—Al4—O14—C240.09 (14)
O22—Al2—O12—C228.59 (15)O34—Al4—O14—C2491.74 (14)
O42—Al2—O12—C2281.25 (15)O64—Al4—O14—C2488.19 (14)
O62—Al2—O22—C42171.24 (14)O44—Al4—O24—C44177.96 (14)
O52—Al2—O22—C4297.17 (14)O34—Al4—O24—C4490.28 (14)
O42—Al2—O22—C4282.83 (14)O14—Al4—O24—C441.45 (14)
O12—Al2—O22—C427.12 (14)O64—Al4—O24—C4488.12 (14)
O62—Al2—O32—C7282.63 (14)O54—Al4—O34—C7494.06 (14)
O52—Al2—O32—C72174.18 (14)O44—Al4—O34—C742.99 (14)
O42—Al2—O32—C725.82 (14)O24—Al4—O34—C7485.55 (14)
O12—Al2—O32—C7295.78 (14)O14—Al4—O34—C74176.63 (14)
O32—Al2—O42—C926.10 (14)O54—Al4—O44—C9494.12 (13)
O62—Al2—O42—C9285.34 (14)O24—Al4—O44—C9486.32 (13)
O22—Al2—O42—C92172.72 (13)O34—Al4—O44—C945.31 (14)
O12—Al2—O42—C9296.44 (14)O64—Al4—O44—C94174.61 (13)
O32—Al2—O52—C122104.27 (15)O44—Al4—O54—C12497.69 (14)
O62—Al2—O52—C12212.83 (15)O34—Al4—O54—C124170.53 (14)
O22—Al2—O52—C12274.56 (15)O14—Al4—O54—C12481.72 (14)
O12—Al2—O52—C122165.39 (15)O64—Al4—O54—C1247.87 (14)
O32—Al2—O62—C142102.72 (14)O54—Al4—O64—C1449.62 (14)
O52—Al2—O62—C14214.45 (14)O44—Al4—O64—C144100.73 (14)
O22—Al2—O62—C14275.68 (14)O24—Al4—O64—C144170.78 (14)
O42—Al2—O62—C142165.60 (14)O14—Al4—O64—C14479.65 (14)
Al2—O12—C22—C325.5 (3)Al4—O14—C24—C340.4 (2)
Al2—O12—C22—C12174.68 (12)Al4—O14—C24—C14178.80 (11)
O12—C22—C32—C422.5 (3)O14—C24—C34—C441.8 (3)
C12—C22—C32—C42177.33 (17)C14—C24—C34—C44177.31 (16)
Al2—O22—C42—C322.4 (2)Al4—O24—C44—C343.1 (2)
Al2—O22—C42—C52179.27 (11)Al4—O24—C44—C54176.06 (12)
C22—C32—C42—O224.1 (3)C24—C34—C44—O243.3 (3)
C22—C32—C42—C52174.13 (16)C24—C34—C44—C54175.92 (16)
Al2—O32—C72—C823.8 (2)Al4—O34—C74—C840.4 (2)
Al2—O32—C72—C62175.70 (12)Al4—O34—C74—C64178.62 (12)
O32—C72—C82—C920.4 (3)O34—C74—C84—C943.2 (3)
C62—C72—C82—C92179.88 (16)C64—C74—C84—C94175.81 (16)
Al2—O42—C92—C824.3 (2)Al4—O44—C94—C844.3 (2)
Al2—O42—C92—C102174.80 (11)Al4—O44—C94—C104176.82 (11)
C72—C82—C92—O420.2 (3)C74—C84—C94—O440.7 (3)
C72—C82—C92—C102179.20 (16)C74—C84—C94—C104178.06 (17)
Al2—O52—C122—C1327.3 (3)Al4—O54—C124—C1343.9 (2)
Al2—O52—C122—C112175.08 (12)Al4—O54—C124—C114176.36 (12)
O52—C122—C132—C1422.0 (3)O54—C124—C134—C1442.0 (3)
C112—C122—C132—C142175.55 (17)C114—C124—C134—C144177.74 (17)
Al2—O62—C142—C13210.7 (2)Al4—O64—C144—C1347.3 (2)
Al2—O62—C142—C152169.44 (12)Al4—O64—C144—C154173.82 (11)
C122—C132—C142—O620.2 (3)C124—C134—C144—O640.2 (3)
C122—C132—C142—C152179.65 (17)C124—C134—C144—C154178.62 (16)
 

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