Information card for entry 4346757

Structure parameters

• Common name: FcCH2COOPc
• Formula: C45 H50 Cl2 Fe N4 O2
• Calculated formula: C45 H50 Cl2 Fe N4 O2
• Title of publication: Covalently Attached Porphycene-Ferrocene Dyads: Synthesis, Redox-Switched Emission, and Observation of the Charge-Separated State.
• Authors of publication: Abe, Masaaki; Yamada, Hiroaki; Okawara, Toru; Fujitsuka, Mamoru; Majima, Tetsuro; Hisaeda, Yoshio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 7 - 9
• a: 7.5292 ± 0.0009 Å
• b: 7.5813 ± 0.0009 Å
• c: 18.337 ± 0.002 Å
• α: 85.9253 ± 0.0017°
• β: 85.6604 ± 0.0017°
• γ: 70.044 ± 0.0017°
• Cell volume: 979.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No