Information card for entry 4313420

Structure parameters

• Common name: TypeI-Fc4NCuII
• Formula: C32 H46 Cl2 Cu Fe2 N4 O9
• Calculated formula: C32 H46 Cl2 Cu Fe2 N4 O9
• Title of publication: Thermically and Electrochemically Induced Isomerization of a (Bis(ferrocene)-cyclam)copper(II) Complex
• Authors of publication: Christophe Bucher; Jean-Claude Moutet; Jacques Pécaut; Guy Royal; Eric Saint-Aman; Fabrice Thomas; Stéphane Torelli; Mihaela Ungureanu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2242 - 2252
• a: 27.016 ± 0.002 Å
• b: 9.0952 ± 0.0008 Å
• c: 18.1625 ± 0.0015 Å
• α: 90°
• β: 126.952 ± 0.001°
• γ: 90°
• Cell volume: 3566.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No