Information card for entry 7005137

Structure parameters

• Formula: C66 H68 B2 Co F8 Fe6 N6 O7
• Calculated formula: C66 H66 B2 Co F8 Fe6 N6 O7
• 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: 22.4039 ± 0.0005 Å
• b: 13.9424 ± 0.0003 Å
• c: 23.4953 ± 0.0006 Å
• α: 90°
• β: 115.879 ± 0.001°
• γ: 90°
• Cell volume: 6603.1 ± 0.3 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: 0.0587
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No