Information card for entry 7027466

Structure parameters

• Formula: C46 H52 Co4 O20 P4
• Calculated formula: C46 H52 Co4 O20 P4
• Title of publication: Ferrocenylethynylnaphthalenes and acenaphthylenes; communication between ferrocenyl and cluster redox centres
• Authors of publication: McAdam, C. John; Brunton, Jason J.; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2487
• a: 13.515 ± 0.005 Å
• b: 13.242 ± 0.006 Å
• c: 30.181 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5401 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2202
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No