Information card for entry 4084486

Structure parameters

• Formula: C21 H37 F6 N2 Ni O P2 Sb
• Calculated formula: C21 H37 F6 N2 Ni O P2 Sb
• SMILES: [Ni]12([P](N(c3c2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C)C#[O].[Sb](F)(F)([F-])(F)(F)F
• Title of publication: Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues
• Authors of publication: Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 141009125933001
• a: 14.6254 ± 0.0012 Å
• b: 8.4029 ± 0.0007 Å
• c: 23.161 ± 0.002 Å
• α: 90°
• β: 105.928 ± 0.002°
• γ: 90°
• Cell volume: 2737.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for significantly intense reflections: 1.82
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No