Information card for entry 7005138

Structure parameters

• Formula: C66 H66 B2 Co F8 Fe6 N6 O6
• Calculated formula: C66 H66 B2 Co F8 Fe6 N6 O6
• Title of publication: Arranging up to six ferrocene carboxamides around metal centres.
• Authors of publication: Salazar-Mendoza, Domingo; Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; De Cian, André
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 565 - 569
• a: 16.878 ± 0.0006 Å
• b: 19.529 ± 0.0008 Å
• c: 19.386 ± 0.0008 Å
• α: 90°
• β: 91.926 ± 0.003°
• γ: 90°
• Cell volume: 6386.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1972
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No