Information card for entry 4321305

Structure parameters

• Common name: [RuCp(PPh3)2-CN-FePc-CN-RuCp(PPh3)2]SbF6
• Formula: C116 H86 F6 Fe N10 P4 Ru2 Sb
• Calculated formula: C116 H86 F6 Fe N10 P4 Ru2 Sb
• Title of publication: M(μ-CN)Fe(μ-CN)M' Chains with Phthalocyanine Iron Centers: Preparation, Structures, and Isomerization
• Authors of publication: Andreas Geiss; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4029 - 4036
• a: 26.902 ± 0.008 Å
• b: 14.788 ± 0.004 Å
• c: 29.957 ± 0.011 Å
• α: 90°
• β: 108.08 ± 0.02°
• γ: 90°
• Cell volume: 11329 ± 6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No