Information card for entry 4073362

Structure parameters

• Formula: C18 H39 N Ni P2
• Calculated formula: C18 H39 N Ni P2
• SMILES: [Ni]12([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[N]1=[CH]2CCC1
• Title of publication: Monomeric Alkoxo and Amido Methylnickel(II) Complexes. Synthesis and Heterocumulene Insertion Chemistry
• Authors of publication: Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3840
• a: 9.7279 ± 0.0007 Å
• b: 14.9737 ± 0.0009 Å
• c: 15.2632 ± 0.0011 Å
• α: 80.308 ± 0.002°
• β: 77.419 ± 0.002°
• γ: 79.294 ± 0.002°
• Cell volume: 2113.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No