Information card for entry 4311174

Structure parameters

• Chemical name: Manuscript number JA037161Y
• Formula: C38 H54 Cl2 Cu Fe2 N6 O8
• Calculated formula: C38 H51 Cl2 Cu Fe2 N6 O8.094
• Title of publication: Redox-Triggered Molecular Movement in a Multicomponent Metal Complex in Solution and in the Solid State
• Authors of publication: Christophe Bucher; Jean-Claude Moutet; Jacques Pécaut; Guy Royal; Eric Saint-Aman; Fabrice Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3777 - 3779
• a: 10.2723 ± 0.0006 Å
• b: 13.2278 ± 0.0008 Å
• c: 17.3098 ± 0.001 Å
• α: 67.623 ± 0.001°
• β: 82.37 ± 0.001°
• γ: 78.225 ± 0.001°
• Cell volume: 2125.2 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No