Information card for entry 4070985

Structure parameters

• Formula: C22 H56 Hf Li2 N4
• Calculated formula: C22 H56 Hf Li2 N4
• SMILES: [Hf]123(CC)([CH2]([Li]4([CH2]3[CH2]2[Li]2([CH2]1C)[N](CC[N]2(C)C)(C)C)[N](CC[N]4(C)C)(C)C)C)CC
• Title of publication: Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]
• Authors of publication: Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 984
• a: 21.61 ± 0.003 Å
• b: 17.342 ± 0.002 Å
• c: 32.154 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12050 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No