Information card for entry 4321303

Structure parameters

• Common name: [{FeCp(dppe)-CN}2-FePc]SbF6
• Formula: C96 H74 F6 Fe3 N10 P4 Sb
• Calculated formula: C96 H74 F6 Fe3 N10 P4 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: 18.935 ± 0.004 Å
• b: 9.017 ± 0.001 Å
• c: 25.538 ± 0.007 Å
• α: 90°
• β: 97.53 ± 0.02°
• γ: 90°
• Cell volume: 4322.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1789
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No