Information card for entry 4321304

Structure parameters

• Common name: [{RuCp(PPh3)2-CN}2-FePc]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: 14.348 ± 0.003 Å
• b: 16.021 ± 0.003 Å
• c: 25.072 ± 0.005 Å
• α: 81.22 ± 0.03°
• β: 81.26 ± 0.03°
• γ: 79.73 ± 0.03°
• Cell volume: 5558 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2176
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No