Information card for entry 4084482

Structure parameters

• Formula: C25 H42 Cl Co N3 P2
• Calculated formula: C25 H42 Cl Co N3 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)(Cl)[n]1ccccc1
• 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: 38.9446 ± 0.0013 Å
• b: 38.9446 ± 0.0013 Å
• c: 9.6467 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12670.8 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No