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The title compound, [Al(C10H8NO)2(C18H13O)], is representative of the class of compounds commonly known as the blue aluminium chelates (BAlq) that are useful in organic electroluminescent devices. The geometry of this compound is approximately trigonal-bipyramidal, with the trigonal base formed by the O donor atoms of the phenolate and two quinolinolate ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680603162X/sj2101sup1.cif
Contains datablocks I, BAlq-13

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680603162X/sj2101Isup2.hkl
Contains datablock I

CCDC reference: 621492

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.042
  • wR factor = 0.119
  • Data-to-parameter ratio = 14.2

checkCIF/PLATON results

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Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 1.29 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.69 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C36 - C37 .. 5.44 su
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.287 Tmax scaled 0.978 Tmin scaled 0.895
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: Roles of co-authors are as follows:
 Manju Rajeswaran - Crystallographer

 David Place - worked on the initial synthesis, adapting it
 from previous work to include the azeotropic distillations
 and did some of the early stage optimization.

 Muhunthan Sathiosatham - developed the ultimate procedure
 used for synthesis

 Joseph Deaton - Structure results analysis, comparison with
 similar structures in literature, device design

 Christopher Brown - principle investigator for project,
 participated in all phases of the research for these complexes.

 William Lenhart - NMR spectra


1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Bis(2-methyl-8-quinolinolato)(2,6-diphenylphenolato)aluminium(III) top
Crystal data top
[Al(C18H13O)(C10H8NO)2]F(000) = 1232
Mr = 588.61Dx = 1.298 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 13891 reflections
a = 15.4526 (3) Åθ = 1.0–25.7°
b = 13.0266 (4) ŵ = 0.11 mm1
c = 15.7570 (3) ÅT = 295 K
β = 108.205 (2)°Cube, green
V = 3013.04 (12) Å30.32 × 0.30 × 0.20 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
5684 independent reflections
Radiation source: fine-focus sealed tube4167 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.045
Detector resolution: 9 pixels mm-1θmax = 25.7°, θmin = 3.8°
φ and ω scansh = 1818
Absorption correction: multi-scan
from symmetry-related measurements; (SORTAV; Blessing, 1995)
k = 1415
Tmin = 0.695, Tmax = 0.760l = 1819
22312 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.119H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0622P)2 + 0.3029P]
where P = (Fo2 + 2Fc2)/3
5684 reflections(Δ/σ)max < 0.001
399 parametersΔρmax = 0.23 e Å3
0 restraintsΔρmin = 0.24 e Å3
Special details top

Experimental. 1H NMR (500 MHz, tetrachloroethane-d2): (2.77 (s, 6H), 6.45 (m, 2H), 6.53 (m, 4H), 6.71 (dd, J = 7.7, 1 Hz, 2H), 6.89 (t, J = 7.4 Hz, 1H), 7.04 (m, 4H), 7.11 (d, J = 7.4 Hz, 2H), 7.12 (dd, J = 8.1, 1 Hz, 2H), 7.32 (dd, J = 7.7, 8.1 Hz, 2H), 7.41 (d, J = 8.4 Hz, 2H), 8.19 (d, J = 8.4 Hz, 2H)).

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
Al10.29070 (3)0.43137 (4)0.09391 (3)0.03792 (14)
O10.35999 (8)0.39102 (9)0.20235 (7)0.0465 (3)
O20.18705 (7)0.36774 (9)0.03309 (7)0.0454 (3)
O30.33021 (8)0.53101 (8)0.04249 (7)0.0435 (3)
N10.22421 (9)0.51827 (10)0.16355 (8)0.0393 (3)
N20.35047 (9)0.32152 (11)0.03549 (8)0.0419 (3)
C10.26982 (10)0.50567 (12)0.25300 (10)0.0390 (4)
C20.34376 (11)0.43619 (13)0.27246 (11)0.0421 (4)
C30.39300 (13)0.42007 (15)0.36047 (11)0.0545 (5)
H30.44180.37450.37510.065*
C40.36998 (14)0.47205 (17)0.42827 (12)0.0596 (5)
H40.40470.46070.48740.072*
C50.29900 (14)0.53817 (16)0.41066 (12)0.0567 (5)
H50.28500.57110.45710.068*
C60.24651 (12)0.55663 (13)0.32127 (11)0.0464 (4)
C70.17157 (14)0.62346 (16)0.29332 (13)0.0602 (5)
H70.15290.65960.33540.072*
C80.12649 (14)0.63531 (16)0.20492 (13)0.0614 (5)
H80.07700.67970.18720.074*
C90.15313 (12)0.58178 (14)0.13947 (11)0.0468 (4)
C100.10220 (13)0.59643 (18)0.04263 (12)0.0587 (5)
H10A0.11930.66080.02280.088*
H10B0.03790.59640.03420.088*
H10C0.11670.54150.00870.088*
C110.28231 (12)0.26496 (13)0.02132 (10)0.0435 (4)
C120.19356 (12)0.29237 (13)0.02184 (10)0.0432 (4)
C130.12115 (13)0.23962 (15)0.07778 (12)0.0557 (5)
H130.06210.25530.07870.067*
C140.13597 (17)0.16198 (17)0.13366 (13)0.0668 (6)
H140.08600.12780.17180.080*
C150.22103 (17)0.13517 (16)0.13382 (13)0.0663 (6)
H150.22870.08360.17160.080*
C160.29733 (14)0.18606 (15)0.07629 (12)0.0549 (5)
C170.38942 (17)0.16677 (18)0.06793 (15)0.0725 (6)
H170.40400.11510.10180.087*
C180.45690 (16)0.22280 (18)0.01106 (15)0.0708 (6)
H180.51730.20880.00610.085*
C190.43655 (12)0.30216 (15)0.04080 (12)0.0531 (5)
C200.51038 (13)0.36586 (18)0.10129 (16)0.0713 (6)
H20A0.51800.42730.07080.107*
H20B0.56630.32760.11840.107*
H20C0.49440.38370.15360.107*
C210.30781 (11)0.62731 (13)0.01380 (11)0.0411 (4)
C220.33615 (11)0.71148 (13)0.07169 (11)0.0440 (4)
C230.31183 (13)0.81042 (14)0.03884 (13)0.0544 (5)
H230.33050.86620.07700.065*
C240.26088 (15)0.82720 (16)0.04868 (14)0.0637 (5)
H240.24620.89370.06970.076*
C250.23196 (13)0.74476 (16)0.10478 (13)0.0577 (5)
H250.19690.75640.16370.069*
C260.25370 (12)0.64444 (14)0.07582 (11)0.0468 (4)
C270.38990 (12)0.69954 (13)0.16759 (11)0.0451 (4)
C280.36518 (13)0.75362 (16)0.23262 (13)0.0582 (5)
H280.31380.79530.21560.070*
C290.41530 (16)0.7467 (2)0.32189 (14)0.0720 (6)
H290.39770.78360.36430.086*
C300.49078 (18)0.68558 (19)0.34777 (15)0.0770 (7)
H300.52480.68110.40780.092*
C310.51657 (15)0.63069 (17)0.28519 (15)0.0712 (6)
H310.56770.58860.30310.085*
C320.46677 (12)0.63773 (15)0.19569 (13)0.0557 (5)
H320.48500.60060.15380.067*
C330.21670 (14)0.55866 (15)0.13867 (11)0.0539 (5)
C340.12471 (16)0.5594 (2)0.18951 (13)0.0743 (6)
H340.08690.61180.18210.089*
C350.0896 (2)0.4816 (3)0.25143 (15)0.0990 (10)
H350.02820.48160.28460.119*
C360.1455 (3)0.4047 (3)0.26357 (17)0.1051 (11)
H360.12210.35350.30560.126*
C370.2357 (2)0.4035 (2)0.21373 (15)0.0877 (8)
H370.27320.35120.22190.105*
C380.27092 (17)0.47869 (16)0.15194 (12)0.0636 (5)
H380.33220.47640.11820.076*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Al10.0401 (3)0.0343 (3)0.0410 (3)0.0024 (2)0.0152 (2)0.0000 (2)
O10.0498 (7)0.0449 (7)0.0466 (6)0.0130 (5)0.0178 (5)0.0048 (5)
O20.0429 (6)0.0426 (7)0.0524 (7)0.0000 (5)0.0171 (5)0.0073 (5)
O30.0503 (7)0.0348 (6)0.0487 (6)0.0027 (5)0.0203 (5)0.0035 (5)
N10.0402 (7)0.0362 (8)0.0428 (7)0.0022 (6)0.0150 (5)0.0007 (6)
N20.0460 (8)0.0376 (8)0.0464 (8)0.0030 (6)0.0209 (6)0.0024 (6)
C10.0436 (9)0.0337 (9)0.0407 (8)0.0041 (7)0.0146 (7)0.0001 (7)
C20.0453 (9)0.0390 (9)0.0434 (9)0.0007 (7)0.0161 (7)0.0023 (7)
C30.0562 (11)0.0545 (12)0.0493 (10)0.0068 (9)0.0115 (8)0.0095 (8)
C40.0720 (13)0.0615 (13)0.0404 (9)0.0049 (10)0.0104 (8)0.0035 (9)
C50.0751 (13)0.0536 (12)0.0443 (10)0.0065 (10)0.0230 (9)0.0057 (8)
C60.0572 (10)0.0388 (9)0.0471 (9)0.0037 (8)0.0220 (8)0.0045 (7)
C70.0732 (13)0.0573 (13)0.0573 (11)0.0132 (10)0.0305 (10)0.0059 (9)
C80.0610 (12)0.0624 (13)0.0647 (12)0.0251 (10)0.0251 (9)0.0008 (10)
C90.0450 (10)0.0455 (10)0.0515 (10)0.0067 (8)0.0174 (7)0.0022 (8)
C100.0493 (11)0.0699 (14)0.0559 (11)0.0160 (9)0.0148 (8)0.0063 (10)
C110.0566 (10)0.0364 (9)0.0417 (9)0.0006 (8)0.0214 (7)0.0006 (7)
C120.0538 (10)0.0358 (9)0.0411 (9)0.0023 (8)0.0164 (7)0.0002 (7)
C130.0570 (11)0.0516 (11)0.0542 (10)0.0041 (9)0.0111 (8)0.0044 (9)
C140.0830 (16)0.0572 (13)0.0519 (11)0.0132 (11)0.0091 (10)0.0109 (9)
C150.1012 (18)0.0501 (12)0.0506 (11)0.0066 (12)0.0282 (11)0.0140 (9)
C160.0781 (14)0.0450 (11)0.0506 (10)0.0021 (9)0.0329 (9)0.0034 (8)
C170.0934 (17)0.0596 (13)0.0833 (15)0.0104 (12)0.0549 (13)0.0135 (12)
C180.0666 (13)0.0680 (15)0.0939 (16)0.0099 (11)0.0483 (12)0.0088 (12)
C190.0528 (11)0.0488 (11)0.0665 (11)0.0048 (9)0.0313 (9)0.0032 (9)
C200.0463 (11)0.0753 (15)0.0961 (16)0.0001 (11)0.0276 (11)0.0080 (12)
C210.0416 (9)0.0389 (9)0.0484 (9)0.0027 (7)0.0222 (7)0.0043 (7)
C220.0434 (9)0.0388 (10)0.0541 (10)0.0022 (7)0.0214 (7)0.0020 (8)
C230.0620 (12)0.0383 (10)0.0644 (12)0.0046 (9)0.0221 (9)0.0006 (8)
C240.0785 (14)0.0436 (11)0.0692 (13)0.0148 (10)0.0233 (10)0.0141 (10)
C250.0645 (12)0.0560 (12)0.0533 (11)0.0098 (10)0.0195 (9)0.0121 (9)
C260.0517 (10)0.0464 (10)0.0472 (9)0.0021 (8)0.0227 (8)0.0060 (8)
C270.0445 (9)0.0380 (9)0.0537 (10)0.0049 (7)0.0169 (7)0.0002 (8)
C280.0571 (12)0.0582 (12)0.0627 (12)0.0033 (9)0.0234 (9)0.0087 (9)
C290.0821 (16)0.0777 (16)0.0576 (12)0.0149 (13)0.0242 (11)0.0111 (11)
C300.0921 (17)0.0695 (16)0.0562 (12)0.0192 (13)0.0040 (11)0.0007 (11)
C310.0617 (13)0.0533 (13)0.0819 (15)0.0035 (10)0.0018 (11)0.0038 (11)
C320.0510 (11)0.0458 (11)0.0661 (12)0.0015 (9)0.0122 (9)0.0026 (9)
C330.0679 (12)0.0567 (12)0.0406 (9)0.0088 (10)0.0219 (8)0.0044 (8)
C340.0786 (15)0.0931 (18)0.0499 (11)0.0163 (13)0.0181 (10)0.0035 (11)
C350.105 (2)0.131 (3)0.0514 (13)0.052 (2)0.0106 (13)0.0011 (16)
C360.178 (4)0.084 (2)0.0555 (15)0.059 (2)0.0396 (19)0.0129 (14)
C370.155 (3)0.0621 (15)0.0532 (13)0.0171 (16)0.0429 (15)0.0061 (12)
C380.0978 (16)0.0525 (12)0.0474 (10)0.0069 (11)0.0329 (10)0.0003 (9)
Geometric parameters (Å, º) top
Al1—O31.7387 (12)C17—H170.9300
Al1—O11.7886 (12)C18—C191.413 (3)
Al1—O21.7921 (12)C18—H180.9300
Al1—N12.0605 (13)C19—C201.490 (3)
Al1—N22.0686 (14)C20—H20A0.9600
O1—C21.3427 (19)C20—H20B0.9600
O2—C121.3333 (19)C20—H20C0.9600
O3—C211.3418 (19)C21—C221.406 (2)
N1—C91.332 (2)C21—C261.416 (2)
N1—C11.3746 (19)C22—C231.396 (2)
N2—C191.331 (2)C22—C271.488 (2)
N2—C111.365 (2)C23—C241.375 (3)
C1—C61.403 (2)C23—H230.9300
C1—C21.414 (2)C24—C251.374 (3)
C2—C31.374 (2)C24—H240.9300
C3—C41.401 (3)C25—C261.390 (3)
C3—H30.9300C25—H250.9300
C4—C51.353 (3)C26—C331.484 (3)
C4—H40.9300C27—C321.388 (3)
C5—C61.409 (2)C27—C281.392 (3)
C5—H50.9300C28—C291.381 (3)
C6—C71.405 (3)C28—H280.9300
C7—C81.358 (3)C29—C301.365 (3)
C7—H70.9300C29—H290.9300
C8—C91.409 (2)C30—C311.374 (3)
C8—H80.9300C30—H300.9300
C9—C101.495 (2)C31—C321.382 (3)
C10—H10A0.9600C31—H310.9300
C10—H10B0.9600C32—H320.9300
C10—H10C0.9600C33—C381.393 (3)
C11—C161.409 (2)C33—C341.397 (3)
C11—C121.415 (2)C34—C351.394 (4)
C12—C131.373 (2)C34—H340.9300
C13—C141.406 (3)C35—C361.375 (4)
C13—H130.9300C35—H350.9300
C14—C151.361 (3)C36—C371.368 (4)
C14—H140.9300C36—H360.9300
C15—C161.408 (3)C37—C381.369 (3)
C15—H150.9300C37—H370.9300
C16—C171.410 (3)C38—H380.9300
C17—C181.356 (3)
O3—Al1—O1118.16 (6)C18—C17—C16120.73 (18)
O3—Al1—O2118.77 (6)C18—C17—H17119.6
O1—Al1—O2122.91 (6)C16—C17—H17119.6
O3—Al1—N198.29 (5)C17—C18—C19120.79 (19)
O1—Al1—N184.38 (5)C17—C18—H18119.6
O2—Al1—N191.60 (5)C19—C18—H18119.6
O3—Al1—N292.20 (5)N2—C19—C18120.08 (18)
O1—Al1—N290.26 (5)N2—C19—C20119.03 (16)
O2—Al1—N283.73 (5)C18—C19—C20120.88 (18)
N1—Al1—N2169.50 (6)C19—C20—H20A109.5
C2—O1—Al1116.57 (10)C19—C20—H20B109.5
C12—O2—Al1116.85 (10)H20A—C20—H20B109.5
C21—O3—Al1139.80 (10)C19—C20—H20C109.5
C9—N1—C1118.64 (13)H20A—C20—H20C109.5
C9—N1—Al1133.90 (11)H20B—C20—H20C109.5
C1—N1—Al1107.41 (10)O3—C21—C22121.02 (14)
C19—N2—C11119.35 (14)O3—C21—C26119.54 (15)
C19—N2—Al1132.82 (12)C22—C21—C26119.43 (15)
C11—N2—Al1107.75 (10)C23—C22—C21119.10 (16)
N1—C1—C6123.86 (15)C23—C22—C27118.25 (16)
N1—C1—C2114.81 (14)C21—C22—C27122.65 (15)
C6—C1—C2121.33 (15)C24—C23—C22121.47 (18)
O1—C2—C3125.22 (16)C24—C23—H23119.3
O1—C2—C1116.61 (14)C22—C23—H23119.3
C3—C2—C1118.16 (15)C25—C24—C23119.35 (18)
C2—C3—C4120.22 (18)C25—C24—H24120.3
C2—C3—H3119.9C23—C24—H24120.3
C4—C3—H3119.9C24—C25—C26121.79 (17)
C5—C4—C3122.25 (17)C24—C25—H25119.1
C5—C4—H4118.9C26—C25—H25119.1
C3—C4—H4118.9C25—C26—C21118.83 (16)
C4—C5—C6119.35 (17)C25—C26—C33119.04 (16)
C4—C5—H5120.3C21—C26—C33122.09 (16)
C6—C5—H5120.3C32—C27—C28117.59 (17)
C1—C6—C7115.89 (16)C32—C27—C22122.36 (16)
C1—C6—C5118.68 (17)C28—C27—C22120.03 (16)
C7—C6—C5125.43 (16)C29—C28—C27121.4 (2)
C8—C7—C6120.03 (17)C29—C28—H28119.3
C8—C7—H7120.0C27—C28—H28119.3
C6—C7—H7120.0C30—C29—C28119.8 (2)
C7—C8—C9121.41 (17)C30—C29—H29120.1
C7—C8—H8119.3C28—C29—H29120.1
C9—C8—H8119.3C29—C30—C31120.1 (2)
N1—C9—C8120.16 (16)C29—C30—H30119.9
N1—C9—C10119.63 (15)C31—C30—H30119.9
C8—C9—C10120.21 (16)C30—C31—C32120.2 (2)
C9—C10—H10A109.5C30—C31—H31119.9
C9—C10—H10B109.5C32—C31—H31119.9
H10A—C10—H10B109.5C31—C32—C27120.80 (19)
C9—C10—H10C109.5C31—C32—H32119.6
H10A—C10—H10C109.5C27—C32—H32119.6
H10B—C10—H10C109.5C38—C33—C34118.1 (2)
N2—C11—C16123.72 (16)C38—C33—C26122.61 (18)
N2—C11—C12114.54 (14)C34—C33—C26119.23 (19)
C16—C11—C12121.74 (16)C35—C34—C33120.0 (3)
O2—C12—C13125.01 (16)C35—C34—H34120.0
O2—C12—C11116.85 (14)C33—C34—H34120.0
C13—C12—C11118.14 (16)C36—C35—C34120.2 (3)
C12—C13—C14120.17 (19)C36—C35—H35119.9
C12—C13—H13119.9C34—C35—H35119.9
C14—C13—H13119.9C37—C36—C35120.0 (3)
C15—C14—C13122.15 (19)C37—C36—H36120.0
C15—C14—H14118.9C35—C36—H36120.0
C13—C14—H14118.9C36—C37—C38120.5 (3)
C14—C15—C16119.54 (18)C36—C37—H37119.7
C14—C15—H15120.2C38—C37—H37119.7
C16—C15—H15120.2C37—C38—C33121.2 (2)
C15—C16—C11118.25 (18)C37—C38—H38119.4
C15—C16—C17126.43 (18)C33—C38—H38119.4
C11—C16—C17115.32 (18)
O3—Al1—O1—C292.06 (12)N2—C11—C12—O20.9 (2)
O2—Al1—O1—C292.61 (12)C16—C11—C12—O2179.67 (15)
N1—Al1—O1—C24.35 (12)N2—C11—C12—C13179.49 (15)
N2—Al1—O1—C2175.31 (12)C16—C11—C12—C130.1 (2)
O3—Al1—O2—C1284.22 (12)O2—C12—C13—C14179.37 (16)
O1—Al1—O2—C1291.09 (12)C11—C12—C13—C141.1 (3)
N1—Al1—O2—C12175.42 (11)C12—C13—C14—C151.0 (3)
N2—Al1—O2—C124.85 (11)C13—C14—C15—C160.2 (3)
O1—Al1—O3—C21116.12 (16)C14—C15—C16—C111.1 (3)
O2—Al1—O3—C2168.34 (17)C14—C15—C16—C17179.4 (2)
N1—Al1—O3—C2128.09 (17)N2—C11—C16—C15178.31 (16)
N2—Al1—O3—C21152.40 (16)C12—C11—C16—C151.0 (3)
O3—Al1—N1—C963.51 (17)N2—C11—C16—C171.2 (3)
O1—Al1—N1—C9178.78 (17)C12—C11—C16—C17179.46 (17)
O2—Al1—N1—C955.87 (16)C15—C16—C17—C18178.7 (2)
N2—Al1—N1—C9119.2 (3)C11—C16—C17—C180.8 (3)
O3—Al1—N1—C1113.84 (10)C16—C17—C18—C190.3 (3)
O1—Al1—N1—C13.87 (10)C11—N2—C19—C180.9 (3)
O2—Al1—N1—C1126.78 (10)Al1—N2—C19—C18177.13 (14)
N2—Al1—N1—C163.5 (3)C11—N2—C19—C20178.53 (17)
O3—Al1—N2—C1961.92 (16)Al1—N2—C19—C202.3 (3)
O1—Al1—N2—C1956.28 (16)C17—C18—C19—N21.3 (3)
O2—Al1—N2—C19179.38 (16)C17—C18—C19—C20178.2 (2)
N1—Al1—N2—C19115.4 (3)Al1—O3—C21—C2286.9 (2)
O3—Al1—N2—C11114.64 (11)Al1—O3—C21—C2692.22 (19)
O1—Al1—N2—C11127.16 (11)O3—C21—C22—C23179.55 (15)
O2—Al1—N2—C114.06 (10)C26—C21—C22—C231.4 (2)
N1—Al1—N2—C1168.0 (3)O3—C21—C22—C271.6 (2)
C9—N1—C1—C60.6 (2)C26—C21—C22—C27177.48 (15)
Al1—N1—C1—C6177.27 (13)C21—C22—C23—C240.0 (3)
C9—N1—C1—C2179.43 (15)C27—C22—C23—C24178.88 (17)
Al1—N1—C1—C22.75 (16)C22—C23—C24—C251.1 (3)
Al1—O1—C2—C3175.98 (14)C23—C24—C25—C260.8 (3)
Al1—O1—C2—C14.02 (19)C24—C25—C26—C210.6 (3)
N1—C1—C2—O10.4 (2)C24—C25—C26—C33177.19 (18)
C6—C1—C2—O1179.60 (15)O3—C21—C26—C25179.27 (15)
N1—C1—C2—C3179.61 (15)C22—C21—C26—C251.6 (2)
C6—C1—C2—C30.4 (2)O3—C21—C26—C333.1 (2)
O1—C2—C3—C4179.70 (17)C22—C21—C26—C33176.06 (16)
C1—C2—C3—C40.3 (3)C23—C22—C27—C32132.73 (19)
C2—C3—C4—C50.8 (3)C21—C22—C27—C3248.4 (2)
C3—C4—C5—C60.6 (3)C23—C22—C27—C2845.4 (2)
N1—C1—C6—C70.2 (3)C21—C22—C27—C28133.42 (18)
C2—C1—C6—C7179.83 (16)C32—C27—C28—C290.3 (3)
N1—C1—C6—C5179.39 (15)C22—C27—C28—C29177.93 (18)
C2—C1—C6—C50.6 (2)C27—C28—C29—C300.2 (3)
C4—C5—C6—C10.1 (3)C28—C29—C30—C310.3 (4)
C4—C5—C6—C7179.63 (19)C29—C30—C31—C320.6 (3)
C1—C6—C7—C80.1 (3)C30—C31—C32—C270.4 (3)
C5—C6—C7—C8179.66 (19)C28—C27—C32—C310.0 (3)
C6—C7—C8—C90.0 (3)C22—C27—C32—C31178.17 (17)
C1—N1—C9—C80.6 (3)C25—C26—C33—C38131.40 (19)
Al1—N1—C9—C8176.47 (14)C21—C26—C33—C3850.9 (2)
C1—N1—C9—C10179.76 (16)C25—C26—C33—C3446.0 (2)
Al1—N1—C9—C103.1 (3)C21—C26—C33—C34131.68 (19)
C7—C8—C9—N10.4 (3)C38—C33—C34—C350.0 (3)
C7—C8—C9—C10180.0 (2)C26—C33—C34—C35177.48 (18)
C19—N2—C11—C160.4 (2)C33—C34—C35—C360.9 (4)
Al1—N2—C11—C16176.75 (14)C34—C35—C36—C371.1 (4)
C19—N2—C11—C12179.74 (15)C35—C36—C37—C380.3 (4)
Al1—N2—C11—C122.63 (16)C36—C37—C38—C330.6 (3)
Al1—O2—C12—C13175.67 (14)C34—C33—C38—C370.8 (3)
Al1—O2—C12—C114.78 (18)C26—C33—C38—C37176.62 (17)
 

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