Information card for entry 7053526

Structure parameters

• Formula: C41 H65 Al Li N3 O2
• Calculated formula: C41 H65 Al Li N3 O2
• SMILES: [Al](N1C(CCCC1(C)C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[Li]1([O]2CCCC2)([O]2CCCC2)[N](CC[N]1(C)C)(C)C
• Title of publication: Organic heterobimetallic complexes of the alkaline earth metals (Ae = Ca, Sr, Ba) with tetrahedral metallate anions of three-valent metals (M = B, Al, Ga, and V)
• Authors of publication: Langer, Jens; Krieck, Sven; Görls, Helmar; Kreisel, Günter; Seidel, Wolfgang; Westerhausen, Matthias
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1667
• a: 17.0743 ± 0.0005 Å
• b: 16.2193 ± 0.0004 Å
• c: 30.1905 ± 0.0009 Å
• α: 90°
• β: 95.514 ± 0.003°
• γ: 90°
• Cell volume: 8322.1 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No