Information card for entry 7125523

Structure parameters

• Common name: [Co(Cp)(CpP6cage)]
• Formula: C31 H47 Co P6
• Calculated formula: C31 H47 Co P6
• Title of publication: Remarkable organophosphorus cage compounds from the reaction of cobaltocene and the triphosphole P3C2But2CH(SiMe3) 2: crystal and molecular structures of [Co(η5-C5H5)(η4-C 4H4CHCHP6C4But 4)] and P6C4But4CH(SiMe3)
• Authors of publication: Hitchcock, Peter B.; Nixon, John F.; Büyükkidan, Nurgün Sakarya
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2720
• a: 9.634 ± 0.003 Å
• b: 32.706 ± 0.007 Å
• c: 10.51 ± 0.002 Å
• α: 90°
• β: 98.16 ± 0.02°
• γ: 90°
• Cell volume: 3278.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1553
• Weighted residual factors for significantly intense reflections: 0.1187
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No