Information card for entry 7028937

Structure parameters

• Formula: C78 H120 Al2 I4 N6 O6
• Calculated formula: C78 H120 Al2 I4 N6 O6
• SMILES: C1(=[N]2[Al](I)(I)[N](=C3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[Al]2(I)I)N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C1COCC1.C1CCCO1.C1CCCO1.C1COCC1.C1CCCO1.C1CCCO1
• Title of publication: Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.
• Authors of publication: Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4451 - 4461
• a: 22.3083 ± 0.0005 Å
• b: 16.8446 ± 0.0003 Å
• c: 24.0034 ± 0.0005 Å
• α: 90°
• β: 114.736 ± 0.003°
• γ: 90°
• Cell volume: 8192.2 ± 0.4 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: 0.0695
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No