Information card for entry 7032259

Structure parameters

• Formula: C54 H41 Cl2 Co Fe2 N8 O8
• Calculated formula: C54 H41 Cl2 Co Fe2 N8 O8
• Title of publication: Ferrocene-appended ligands for use in spin crossover-redox "hybrid" complexes of iron(ii) and cobalt(ii).
• Authors of publication: Scott, Hayley S.; Gartshore, Christopher J.; Guo, Si-Xuan; Moubaraki, Boujemaa; Bond, Alan M.; Batten, Stuart R.; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15212 - 15220
• a: 12.802 ± 0.003 Å
• b: 18.888 ± 0.004 Å
• c: 20.634 ± 0.004 Å
• α: 90°
• β: 96.3 ± 0.03°
• γ: 90°
• Cell volume: 4959.3 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.087
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No