Information card for entry 4077490

Structure parameters

• Formula: C44 H69 Li N4
• Calculated formula: C44 H69 Li N4
• SMILES: N(=C(C1=CC=[CH]2[Li]3(N(C(=C2C1CCCC)C)c1c(cccc1C(C)C)C(C)C)[N](C)(C)CC[N]3(C)C)\C)\c1c(cccc1C(C)C)C(C)C
• Title of publication: Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†
• Authors of publication: Nückel, Stefan; Burger, Peter
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3305
• a: 9.163 ± 0.001 Å
• b: 10.253 ± 0.001 Å
• c: 23.038 ± 0.003 Å
• α: 88.71 ± 0.01°
• β: 80.04 ± 0.01°
• γ: 81.62 ± 0.01°
• Cell volume: 2109 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.1734
• Weighted residual factors for significantly intense reflections: 0.1376
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No