Information card for entry 4321302

Structure parameters

• Common name: [{RuCp(PPh3)2-CN}2-FePc]*1.5CH2Cl2
• Formula: C119 H92 Cl6 Fe N10 P4 Ru2
• Calculated formula: C119 H92 Cl6 Fe N10 P4 Ru2
• 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: 25.941 ± 0.005 Å
• b: 25.999 ± 0.005 Å
• c: 17.352 ± 0.003 Å
• α: 90°
• β: 119.5 ± 0.03°
• γ: 90°
• Cell volume: 10186 ± 4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1703
• 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