Information card for entry 4072856

Structure parameters

• Formula: C17 H27 Co O2 P
• Calculated formula: C17 H27 Co O2 P
• SMILES: [Co]12345(OC(=CC(=[O]5)C)C)P5[C]1(=[CH]2[CH]3=[C]45C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of a Cobalt−Phospholyl Half-Sandwich Complex and Its Transformation into a Phosphacobaltocene
• Authors of publication: Cabon, Yves; Carmichael, Duncan; Forissier, Kareen; Mathey, François; Ricard, Louis; Seeboth, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5468
• a: 9.38 ± 0.005 Å
• b: 10.174 ± 0.005 Å
• c: 10.251 ± 0.005 Å
• α: 68.12 ± 0.005°
• β: 85.68 ± 0.005°
• γ: 79.93 ± 0.005°
• Cell volume: 893.8 ± 0.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0478
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No