Information card for entry 2019182

Structure parameters

• Common name: Amidinate Aluminium Chloride
• Chemical name: Chloridobis(<i>N</i>,<i>N</i>'-dicyclohexylbenzimidamido)aluminium(III) tetrahydrofuran 0.675-solvate
• Formula: C40.7 H59.4 Al Cl N4 O0.68
• Calculated formula: C38 H54 Al Cl N4
• SMILES: C1(=[N]([Al]2(N1C1CCCCC1)(Cl)[N](C1CCCCC1)=C(c1ccccc1)N2C1CCCCC1)C1CCCCC1)c1ccccc1
• Title of publication: Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates
• Authors of publication: Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1120 - 1123
• a: 22.042 ± 0.004 Å
• b: 16.007 ± 0.003 Å
• c: 12.852 ± 0.002 Å
• α: 90°
• β: 115.396 ± 0.002°
• γ: 90°
• Cell volume: 4096.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No