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Acta Cryst. (2007). E63, m3049    [ doi:10.1107/S1600536807057728 ]

Hexa-[mu]2-isopropoxido-[kappa]12O:O-hexaisopropoxidotetraaluminium(III)

G. S. Mohammadnezhad, M. M. Amini, H. R. Khavasi and S. W. Ng

Abstract top

In the tetranuclear title compound, [Al4(C3H7O)12], one Al atom is six-coordinate, with an octahedral coordination geometry, whereas the other three are four-coordinate with tetrahedral geometries. Two of the three symmetry-independent Al atoms lie on special positions of site symmetry 2.

Comment top

Some achiral metal-organic compounds crystallize in one of the eleven pairs of enantiomorphic space groups; however, examples of the same compound belonging to one of each pair are rare. There is a short comment on such examples (Ng, 2007).

Related literature top

The crystal structure of the title compound was first described in the enantiomorphic space group P41212 [Amma (1963); see Folting et al. (1991), Turova et al. (1979) and Turova et al. (1978) for later reports]. For a comment on the occurrence of compounds crystallizing in pairs of enantiomorphic space groups, see Ng (2007).

Experimental top

The aluminium isopropoxide was an unexpected product from reaction of trimethyl aluminium (0.72 g, 0.01 mmol; 5 ml of 2M solution in toluene) and 1-methoxy-2-propanol (0.1 mol, 7.2 g, 10 ml). The solid obtained after removing the excess 1-methoxy-2-propanol under reduced pressure was recrystallized from mixture of hexane and dichloromethane (1:1).

Refinement top

Hydrogen atoms were placed in calculated positions (C–H 0.96 – 0.98 Å), and were included in refinement in the riding model approximation, with U(H) set to 1.2 to 1.5 times Ueq(C).

Computing details top

Data collection: X-RED32 (Stoe & Cie, 2001); cell refinement: X-AREA (Stoe & Cie, 2005); data reduction: X-AREA (Stoe & Cie, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997\bbr00); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2007).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot of [(C3H7O)3Al]4. Displacement ellipsoids are drawn at the 50% probablity level, and H atoms are drawn as spheres of arbitrary radii. Symmetry codes are given in Table 1.
Hexa-µ2-isopropoxido-κ12O:O- hexaisopropoxidotetraaluminium(III) top
Crystal data top
[Al4(C3H7O)12]Dx = 1.128 Mg m−3
Mr = 816.95Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P43212Cell parameters from 5826 reflections
Hall symbol: P 4nw 2abwθ = 1.8–29.2°
a = 12.331 (2) ŵ = 0.15 mm−1
c = 31.641 (6) ÅT = 293 K
V = 4811.1 (14) Å3Irregular block, colorless
Z = 40.50 × 0.50 × 0.45 mm
F(000) = 1792
Data collection top
Stoe IPDS-II imaging-plate
diffractometer		6434 independent reflections
Radiation source: medium-focus sealed tube5960 reflections with I > 2σ(I)
graphiteRint = 0.035
Rotation method scansθmax = 29.2°, θmin = 1.8°
Absorption correction: analytical
(X-SHAPE; Stoe & Cie, 2003)		h = −16→16
Tmin = 0.937, Tmax = 0.955k = −5→16
15084 measured reflectionsl = −35→43
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.039H-atom parameters constrained
wR(F2) = 0.098 w = 1/[σ2(Fo2) + (0.0478P)2 + 1.3524P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.001
6434 reflectionsΔρmax = 0.23 e Å−3
236 parametersΔρmin = −0.28 e Å−3
0 restraintsAbsolute structure: Flack (Flack, 1983), 2626 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.0 (1)
Crystal data top
[Al4(C3H7O)12]Z = 4
Mr = 816.95Mo Kα radiation
Tetragonal, P43212µ = 0.15 mm−1
a = 12.331 (2) ÅT = 293 K
c = 31.641 (6) Å0.50 × 0.50 × 0.45 mm
V = 4811.1 (14) Å3
Data collection top
Stoe IPDS-II imaging-plate
diffractometer		6434 independent reflections
Absorption correction: analytical
(X-SHAPE; Stoe & Cie, 2003)		5960 reflections with I > 2σ(I)
Tmin = 0.937, Tmax = 0.955Rint = 0.035
15084 measured reflectionsθmax = 29.2°
Refinement top
R[F2 > 2σ(F2)] = 0.039H-atom parameters constrained
wR(F2) = 0.098Δρmax = 0.23 e Å−3
S = 1.05Δρmin = −0.28 e Å−3
6434 reflectionsAbsolute structure: Flack (Flack, 1983), 2626 Friedel pairs
236 parametersFlack parameter: 0.0 (1)
0 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Al10.20008 (4)1.20008 (4)0.00000.02227 (13)
Al20.03496 (4)1.03496 (4)0.00000.01840 (12)
Al30.02619 (4)0.88003 (4)0.067181 (14)0.02167 (10)
O10.33153 (10)1.16747 (11)0.01112 (4)0.0313 (3)
O20.09447 (9)1.15025 (9)0.03410 (3)0.0212 (2)
O30.12112 (9)0.92722 (9)0.02795 (3)0.0206 (2)
O4−0.06114 (9)0.97909 (9)0.04264 (3)0.0213 (2)
O50.04236 (11)0.91991 (11)0.11805 (4)0.0333 (3)
O60.00240 (11)0.74607 (10)0.05657 (4)0.0314 (3)
C10.48650 (17)1.27513 (19)−0.00848 (7)0.0456 (5)
H1A0.44021.3279−0.02160.068*
H1B0.50861.2225−0.02910.068*
H1C0.54941.31060.00290.068*
C20.42514 (14)1.21869 (15)0.02697 (6)0.0319 (4)
H20.40331.27310.04790.038*
C30.49532 (18)1.1342 (2)0.04860 (8)0.0488 (5)
H3A0.45461.09990.07070.073*
H3B0.55831.16850.06040.073*
H3C0.51751.08060.02830.073*
C40.00339 (18)1.28344 (18)0.07859 (6)0.0395 (4)
H4A−0.06481.26590.06560.059*
H4B0.03691.34200.06350.059*
H4C−0.00851.30480.10740.059*
C50.07732 (14)1.18432 (14)0.07744 (5)0.0254 (3)
H50.04301.12510.09320.031*
C60.18536 (16)1.21142 (16)0.09791 (6)0.0346 (4)
H6A0.23161.14880.09720.052*
H6B0.17361.23280.12670.052*
H6C0.21921.26980.08280.052*
C70.25561 (15)0.79397 (15)0.00599 (6)0.0322 (4)
H7A0.22640.7945−0.02210.048*
H7B0.22040.73850.02230.048*
H7C0.33210.77960.00480.048*
C80.23637 (13)0.90413 (14)0.02667 (5)0.0248 (3)
H80.27290.96030.01000.030*
C90.28248 (15)0.90408 (17)0.07120 (6)0.0341 (4)
H9A0.27020.97360.08400.051*
H9B0.35900.88980.07010.051*
H9C0.24740.84880.08760.051*
C10−0.19215 (17)1.0540 (2)0.09220 (7)0.0432 (5)
H10A−0.15451.12210.09110.065*
H10B−0.16421.01130.11510.065*
H10C−0.26811.06680.09650.065*
C11−0.17585 (13)0.99427 (14)0.05127 (5)0.0259 (3)
H11−0.20681.03820.02840.031*
C12−0.23402 (17)0.88716 (19)0.05205 (7)0.0443 (5)
H12A−0.22250.85010.02570.066*
H12B−0.31020.89920.05610.066*
H12C−0.20640.84370.07480.066*
C130.0016 (2)0.8282 (2)0.18290 (7)0.0537 (6)
H13A−0.01360.76210.16800.081*
H13B−0.06410.86900.18620.081*
H13C0.03090.81140.21020.081*
C140.08284 (16)0.89431 (16)0.15819 (5)0.0315 (4)
H140.14980.85230.15500.038*
C150.1084 (2)0.99959 (18)0.18109 (6)0.0459 (5)
H15A0.15981.04070.16490.069*
H15B0.13860.98360.20840.069*
H15C0.04301.04090.18450.069*
C16−0.0992 (2)0.58198 (18)0.05267 (8)0.0489 (5)
H16A−0.15710.62020.03890.073*
H16B−0.12870.52420.06940.073*
H16C−0.05100.55250.03180.073*
C17−0.03744 (16)0.65919 (14)0.08080 (6)0.0314 (4)
H17−0.08740.68810.10210.038*
C180.05522 (19)0.60221 (18)0.10331 (7)0.0442 (5)
H18A0.09300.65320.12090.066*
H18B0.10440.57270.08280.066*
H18C0.02680.54470.12050.066*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Al10.02132 (19)0.02132 (19)0.0242 (3)−0.0026 (2)−0.00022 (18)0.00022 (18)
Al20.01869 (17)0.01869 (17)0.0178 (3)0.0004 (2)−0.00008 (16)0.00008 (16)
Al30.0245 (2)0.0214 (2)0.01904 (19)0.00060 (17)0.00050 (17)0.00200 (16)
O10.0229 (6)0.0323 (6)0.0386 (7)−0.0037 (5)−0.0041 (5)−0.0029 (5)
O20.0237 (5)0.0206 (5)0.0193 (5)−0.0019 (4)0.0000 (4)−0.0022 (4)
O30.0198 (5)0.0209 (5)0.0213 (5)0.0022 (4)−0.0011 (4)0.0016 (4)
O40.0204 (5)0.0225 (5)0.0209 (5)0.0007 (4)0.0025 (4)0.0013 (4)
O50.0397 (7)0.0402 (7)0.0201 (5)0.0037 (6)−0.0025 (5)0.0009 (5)
O60.0410 (7)0.0237 (6)0.0295 (6)−0.0027 (5)0.0033 (5)0.0044 (5)
C10.0304 (10)0.0500 (12)0.0562 (12)−0.0068 (8)0.0108 (9)−0.0115 (10)
C20.0215 (8)0.0356 (9)0.0384 (9)−0.0017 (7)−0.0023 (7)−0.0119 (7)
C30.0353 (11)0.0579 (14)0.0533 (12)0.0062 (10)−0.0174 (9)−0.0117 (11)
C40.0455 (11)0.0412 (10)0.0319 (9)0.0118 (9)0.0003 (8)−0.0096 (8)
C50.0306 (8)0.0250 (8)0.0208 (6)−0.0008 (6)0.0015 (6)−0.0030 (6)
C60.0366 (10)0.0387 (10)0.0285 (8)−0.0056 (8)−0.0045 (7)−0.0086 (7)
C70.0305 (9)0.0298 (9)0.0364 (9)0.0072 (7)0.0019 (7)−0.0021 (7)
C80.0206 (7)0.0262 (8)0.0275 (7)0.0027 (6)−0.0006 (6)0.0025 (6)
C90.0282 (9)0.0410 (10)0.0330 (8)0.0067 (7)−0.0070 (7)−0.0021 (7)
C100.0310 (10)0.0516 (13)0.0471 (11)−0.0002 (8)0.0100 (8)−0.0193 (9)
C110.0194 (7)0.0303 (8)0.0279 (7)0.0029 (6)0.0030 (6)0.0045 (6)
C120.0323 (10)0.0462 (12)0.0545 (12)−0.0112 (9)0.0162 (9)−0.0144 (10)
C130.0759 (17)0.0562 (14)0.0289 (9)−0.0167 (12)0.0121 (10)0.0010 (9)
C140.0403 (10)0.0345 (9)0.0197 (7)0.0013 (7)−0.0013 (7)0.0020 (6)
C150.0611 (14)0.0456 (11)0.0311 (8)−0.0035 (10)−0.0083 (9)−0.0058 (8)
C160.0571 (14)0.0316 (10)0.0581 (13)−0.0116 (10)−0.0023 (11)0.0011 (10)
C170.0388 (10)0.0233 (8)0.0319 (8)−0.0007 (7)0.0063 (7)0.0046 (6)
C180.0532 (13)0.0340 (10)0.0454 (11)0.0064 (9)0.0025 (10)0.0110 (9)
Geometric parameters (Å, °) top
Al1—O1i1.7066 (13)C6—H6B0.9600
Al1—O11.7066 (13)C6—H6C0.9600
Al1—O21.7994 (12)C7—C81.526 (2)
Al1—O2i1.7994 (12)C7—H7A0.9600
Al1—Al22.8794 (9)C7—H7B0.9600
Al2—O3i1.9172 (11)C7—H7C0.9600
Al2—O31.9172 (11)C8—C91.519 (2)
Al2—O41.9234 (11)C8—H80.9800
Al2—O4i1.9234 (11)C9—H9A0.9600
Al2—O21.9297 (12)C9—H9B0.9600
Al2—O2i1.9297 (12)C9—H9C0.9600
Al2—Al3i2.8601 (7)C10—C111.503 (2)
Al2—Al32.8601 (6)C10—H10A0.9600
Al3—O51.6946 (13)C10—H10B0.9600
Al3—O61.7110 (14)C10—H10C0.9600
Al3—O41.8039 (12)C11—C121.503 (3)
Al3—O31.8027 (12)C11—H110.9800
O1—C21.408 (2)C12—H12A0.9600
O2—C51.4496 (18)C12—H12B0.9600
O3—C81.4499 (19)C12—H12C0.9600
O4—C111.4527 (19)C13—C141.509 (3)
O5—C141.4007 (19)C13—H13A0.9600
O6—C171.406 (2)C13—H13B0.9600
C1—C21.522 (3)C13—H13C0.9600
C1—H1A0.9600C14—C151.520 (3)
C1—H1B0.9600C14—H140.9800
C1—H1C0.9600C15—H15A0.9600
C2—C31.518 (3)C15—H15B0.9600
C2—H20.9800C15—H15C0.9600
C3—H3A0.9600C16—C171.509 (3)
C3—H3B0.9600C16—H16A0.9600
C3—H3C0.9600C16—H16B0.9600
C4—C51.525 (3)C16—H16C0.9600
C4—H4A0.9600C17—C181.519 (3)
C4—H4B0.9600C17—H170.9800
C4—H4C0.9600C18—H18A0.9600
C5—C61.519 (2)C18—H18B0.9600
C5—H50.9800C18—H18C0.9600
C6—H6A0.9600
O1i—Al1—O1119.34 (9)H4A—C4—H4B109.5
O1i—Al1—O2106.11 (6)C5—C4—H4C109.5
O1—Al1—O2118.89 (6)H4A—C4—H4C109.5
O1i—Al1—O2i118.89 (6)H4B—C4—H4C109.5
O1—Al1—O2i106.11 (6)O2—C5—C6109.83 (14)
O2—Al1—O2i82.26 (7)O2—C5—C4110.00 (14)
O1i—Al1—Al2120.33 (5)C6—C5—C4109.74 (15)
O1—Al1—Al2120.33 (5)O2—C5—H5109.1
O2—Al1—Al241.13 (4)C6—C5—H5109.1
O2i—Al1—Al241.13 (4)C4—C5—H5109.1
O3i—Al2—O3168.73 (8)C5—C6—H6A109.5
O3i—Al2—O495.46 (5)C5—C6—H6B109.5
O3—Al2—O476.68 (5)H6A—C6—H6B109.5
O3i—Al2—O4i76.68 (5)C5—C6—H6C109.5
O3—Al2—O4i95.46 (5)H6A—C6—H6C109.5
O4—Al2—O4i92.91 (7)H6B—C6—H6C109.5
O3i—Al2—O296.50 (5)C8—C7—H7A109.5
O3—Al2—O292.40 (5)C8—C7—H7B109.5
O4—Al2—O296.08 (5)H7A—C7—H7B109.5
O4i—Al2—O2169.22 (5)C8—C7—H7C109.5
O3i—Al2—O2i92.40 (5)H7A—C7—H7C109.5
O3—Al2—O2i96.50 (5)H7B—C7—H7C109.5
O4—Al2—O2i169.22 (5)O3—C8—C9109.93 (13)
O4i—Al2—O2i96.08 (5)O3—C8—C7109.82 (14)
O2—Al2—O2i75.67 (7)C9—C8—C7109.82 (14)
O3i—Al2—Al3i38.30 (3)O3—C8—H8109.1
O3—Al2—Al3i133.38 (4)C9—C8—H8109.1
O4—Al2—Al3i95.53 (4)C7—C8—H8109.1
O4i—Al2—Al3i38.38 (3)C8—C9—H9A109.5
O2—Al2—Al3i134.23 (4)C8—C9—H9B109.5
O2i—Al2—Al3i95.21 (4)H9A—C9—H9B109.5
O3i—Al2—Al3133.38 (4)C8—C9—H9C109.5
O3—Al2—Al338.30 (3)H9A—C9—H9C109.5
O4—Al2—Al338.38 (3)H9B—C9—H9C109.5
O4i—Al2—Al395.53 (4)C11—C10—H10A109.5
O2—Al2—Al395.21 (3)C11—C10—H10B109.5
O2i—Al2—Al3134.23 (4)H10A—C10—H10B109.5
Al3i—Al2—Al3120.12 (3)C11—C10—H10C109.5
O3i—Al2—Al195.63 (4)H10A—C10—H10C109.5
O3—Al2—Al195.63 (4)H10B—C10—H10C109.5
O4—Al2—Al1133.55 (4)O4—C11—C10110.79 (14)
O4i—Al2—Al1133.55 (4)O4—C11—C12110.76 (14)
O2—Al2—Al137.83 (3)C10—C11—C12110.65 (16)
O2i—Al2—Al137.83 (3)O4—C11—H11108.2
Al3i—Al2—Al1119.938 (16)C10—C11—H11108.2
Al3—Al2—Al1119.938 (15)C12—C11—H11108.2
O5—Al3—O6119.13 (7)C11—C12—H12A109.5
O5—Al3—O4106.41 (6)C11—C12—H12B109.5
O6—Al3—O4117.83 (6)H12A—C12—H12B109.5
O5—Al3—O3118.94 (7)C11—C12—H12C109.5
O6—Al3—O3106.72 (6)H12A—C12—H12C109.5
O4—Al3—O382.69 (5)H12B—C12—H12C109.5
O5—Al3—Al2120.50 (5)C14—C13—H13A109.5
O6—Al3—Al2120.36 (5)C14—C13—H13B109.5
O4—Al3—Al241.45 (4)H13A—C13—H13B109.5
O3—Al3—Al241.24 (4)C14—C13—H13C109.5
C2—O1—Al1138.27 (12)H13A—C13—H13C109.5
C5—O2—Al1125.02 (10)H13B—C13—H13C109.5
C5—O2—Al2133.39 (10)O5—C14—C13110.79 (17)
Al1—O2—Al2101.03 (5)O5—C14—C15108.29 (16)
C8—O3—Al3126.32 (10)C13—C14—C15110.60 (17)
C8—O3—Al2131.78 (10)O5—C14—H14109.0
Al3—O3—Al2100.46 (6)C13—C14—H14109.0
C11—O4—Al3125.99 (10)C15—C14—H14109.0
C11—O4—Al2133.27 (9)C14—C15—H15A109.5
Al3—O4—Al2100.18 (5)C14—C15—H15B109.5
C14—O5—Al3146.90 (13)H15A—C15—H15B109.5
C17—O6—Al3133.51 (12)C14—C15—H15C109.5
C2—C1—H1A109.5H15A—C15—H15C109.5
C2—C1—H1B109.5H15B—C15—H15C109.5
H1A—C1—H1B109.5C17—C16—H16A109.5
C2—C1—H1C109.5C17—C16—H16B109.5
H1A—C1—H1C109.5H16A—C16—H16B109.5
H1B—C1—H1C109.5C17—C16—H16C109.5
O1—C2—C3108.66 (16)H16A—C16—H16C109.5
O1—C2—C1110.51 (16)H16B—C16—H16C109.5
C3—C2—C1111.28 (17)O6—C17—C16109.60 (16)
O1—C2—H2108.8O6—C17—C18110.21 (16)
C3—C2—H2108.8C16—C17—C18111.36 (17)
C1—C2—H2108.8O6—C17—H17108.5
C2—C3—H3A109.5C16—C17—H17108.5
C2—C3—H3B109.5C18—C17—H17108.5
H3A—C3—H3B109.5C17—C18—H18A109.5
C2—C3—H3C109.5C17—C18—H18B109.5
H3A—C3—H3C109.5H18A—C18—H18B109.5
H3B—C3—H3C109.5C17—C18—H18C109.5
C5—C4—H4A109.5H18A—C18—H18C109.5
C5—C4—H4B109.5H18B—C18—H18C109.5
O1i—Al1—Al2—O3i13.79 (6)Al1—Al2—O2—C5−171.47 (17)
O1—Al1—Al2—O3i−166.21 (6)O3i—Al2—O2—Al1−90.82 (6)
O2—Al1—Al2—O3i93.36 (6)O3—Al2—O2—Al196.10 (5)
O2i—Al1—Al2—O3i−86.64 (6)O4—Al2—O2—Al1172.95 (5)
O1i—Al1—Al2—O3−166.21 (6)O4i—Al2—O2—Al1−40.7 (3)
O1—Al1—Al2—O313.79 (6)O2i—Al2—O2—Al10.0
O2—Al1—Al2—O3−86.64 (6)Al3i—Al2—O2—Al1−83.23 (6)
O2i—Al1—Al2—O393.36 (6)Al3—Al2—O2—Al1134.39 (4)
O1i—Al1—Al2—O4−89.25 (7)O5—Al3—O3—C863.16 (14)
O1—Al1—Al2—O490.75 (7)O6—Al3—O3—C8−75.17 (13)
O2—Al1—Al2—O4−9.69 (7)O4—Al3—O3—C8167.90 (12)
O2i—Al1—Al2—O4170.31 (7)Al2—Al3—O3—C8167.58 (15)
O1i—Al1—Al2—O4i90.75 (7)O5—Al3—O3—Al2−104.43 (7)
O1—Al1—Al2—O4i−89.25 (7)O6—Al3—O3—Al2117.25 (6)
O2—Al1—Al2—O4i170.31 (7)O4—Al3—O3—Al20.32 (5)
O2i—Al1—Al2—O4i−9.69 (7)O3i—Al2—O3—C8146.61 (13)
O1i—Al1—Al2—O2−79.57 (7)O4—Al2—O3—C8−166.87 (13)
O1—Al1—Al2—O2100.43 (7)O4i—Al2—O3—C8101.43 (13)
O2i—Al1—Al2—O2180.0O2—Al2—O3—C8−71.19 (13)
O1i—Al1—Al2—O2i100.43 (7)O2i—Al2—O3—C84.65 (13)
O1—Al1—Al2—O2i−79.57 (7)Al3i—Al2—O3—C8108.15 (13)
O2—Al1—Al2—O2i180.0Al3—Al2—O3—C8−166.57 (16)
O1i—Al1—Al2—Al3i45.23 (5)Al1—Al2—O3—C8−33.39 (13)
O1—Al1—Al2—Al3i−134.77 (5)O3i—Al2—O3—Al3−46.8 (2)
O2—Al1—Al2—Al3i124.80 (6)O4—Al2—O3—Al3−0.30 (5)
O2i—Al1—Al2—Al3i−55.20 (6)O4i—Al2—O3—Al3−92.01 (6)
O1i—Al1—Al2—Al3−134.77 (5)O2—Al2—O3—Al395.38 (6)
O1—Al1—Al2—Al345.23 (5)O2i—Al2—O3—Al3171.22 (5)
O2—Al1—Al2—Al3−55.20 (6)Al3i—Al2—O3—Al3−85.28 (6)
O2i—Al1—Al2—Al3124.80 (6)Al1—Al2—O3—Al3133.17 (4)
O3i—Al2—Al3—O5−90.94 (8)O5—Al3—O4—C11−69.86 (13)
O3—Al2—Al3—O5100.37 (8)O6—Al3—O4—C1166.96 (13)
O4—Al2—Al3—O5−80.11 (8)O3—Al3—O4—C11172.05 (12)
O4i—Al2—Al3—O5−167.81 (7)Al2—Al3—O4—C11172.37 (15)
O2—Al2—Al3—O513.10 (7)O5—Al3—O4—Al2117.77 (7)
O2i—Al2—Al3—O588.15 (8)O6—Al3—O4—Al2−105.41 (7)
Al3i—Al2—Al3—O5−136.51 (6)O3—Al3—O4—Al2−0.32 (5)
Al1—Al2—Al3—O543.49 (6)O3i—Al2—O4—C110.60 (14)
O3i—Al2—Al3—O688.04 (8)O3—Al2—O4—C11−171.21 (14)
O3—Al2—Al3—O6−80.66 (8)O4i—Al2—O4—C11−76.28 (13)
O4—Al2—Al3—O698.86 (8)O2—Al2—O4—C1197.76 (14)
O4i—Al2—Al3—O611.16 (7)O2i—Al2—O4—C11137.2 (2)
O2—Al2—Al3—O6−167.92 (7)Al3i—Al2—O4—C11−37.88 (13)
O2i—Al2—Al3—O6−92.88 (8)Al3—Al2—O4—C11−171.51 (16)
Al3i—Al2—Al3—O642.46 (6)Al1—Al2—O4—C11103.72 (13)
Al1—Al2—Al3—O6−137.54 (6)O3i—Al2—O4—Al3172.12 (5)
O3i—Al2—Al3—O4−10.83 (7)O3—Al2—O4—Al30.30 (5)
O3—Al2—Al3—O4−179.52 (8)O4i—Al2—O4—Al395.23 (6)
O4i—Al2—Al3—O4−87.70 (8)O2—Al2—O4—Al3−90.73 (5)
O2—Al2—Al3—O493.21 (6)O2i—Al2—O4—Al3−51.3 (3)
O2i—Al2—Al3—O4168.26 (8)Al3i—Al2—O4—Al3133.63 (4)
Al3i—Al2—Al3—O4−56.40 (5)Al1—Al2—O4—Al3−84.77 (6)
Al1—Al2—Al3—O4123.60 (5)O6—Al3—O5—C1435.9 (3)
O3i—Al2—Al3—O3168.70 (7)O4—Al3—O5—C14172.1 (2)
O4—Al2—Al3—O3179.52 (8)O3—Al3—O5—C14−97.3 (2)
O4i—Al2—Al3—O391.82 (6)Al2—Al3—O5—C14−145.1 (2)
O2—Al2—Al3—O3−87.26 (7)O5—Al3—O6—C1721.18 (19)
O2i—Al2—Al3—O3−12.22 (7)O4—Al3—O6—C17−110.12 (16)
Al3i—Al2—Al3—O3123.12 (6)O3—Al3—O6—C17159.41 (16)
Al1—Al2—Al3—O3−56.88 (6)Al2—Al3—O6—C17−157.81 (15)
O1i—Al1—O1—C225.16 (16)Al1—O1—C2—C3152.14 (16)
O2—Al1—O1—C2−107.20 (18)Al1—O1—C2—C1−85.5 (2)
O2i—Al1—O1—C2162.84 (17)Al1—O2—C5—C6−32.61 (18)
Al2—Al1—O1—C2−154.84 (16)Al2—O2—C5—C6137.16 (13)
O1i—Al1—O2—C5−69.64 (13)Al1—O2—C5—C488.28 (16)
O1—Al1—O2—C568.26 (13)Al2—O2—C5—C4−101.95 (17)
O2i—Al1—O2—C5172.44 (15)Al3—O3—C8—C9−37.91 (19)
Al2—Al1—O2—C5172.44 (15)Al2—O3—C8—C9125.61 (13)
O1i—Al1—O2—Al2117.92 (6)Al3—O3—C8—C783.03 (15)
O1—Al1—O2—Al2−104.18 (7)Al2—O3—C8—C7−113.45 (14)
O2i—Al1—O2—Al20.0Al3—O4—C11—C1077.18 (18)
O3i—Al2—O2—C597.71 (14)Al2—O4—C11—C10−113.17 (16)
O3—Al2—O2—C5−75.37 (14)Al3—O4—C11—C12−46.01 (19)
O4—Al2—O2—C51.48 (14)Al2—O4—C11—C12123.65 (15)
O4i—Al2—O2—C5147.8 (2)Al3—O5—C14—C13−85.5 (3)
O2i—Al2—O2—C5−171.47 (17)Al3—O5—C14—C15153.1 (2)
Al3i—Al2—O2—C5105.30 (13)Al3—O6—C17—C16148.14 (16)
Al3—Al2—O2—C5−37.08 (14)Al3—O6—C17—C18−89.0 (2)
Symmetry codes: (i) y−1, x+1, −z.
Acknowledgements top

We thank Shahid Beheshti University and the University of Malaya for supporting this study.

references
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