Information card for entry 4084483

Structure parameters

• Formula: C22 H37 Co N2 O2 P2
• Calculated formula: C22 H37 Co N2 O2 P2
• SMILES: [Co]12([P](N(c3c2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C)(C#[O])C#[O]
• 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: 8.097 ± 0.0005 Å
• b: 17.8216 ± 0.0011 Å
• c: 17.9396 ± 0.0011 Å
• α: 70.854 ± 0.003°
• β: 80.438 ± 0.003°
• γ: 80.517 ± 0.003°
• Cell volume: 2394.6 ± 0.3 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for significantly intense reflections: 2.17
• Goodness-of-fit parameter for all reflections included in the refinement: 2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No