Information card for entry 4001766

Structure parameters

• Formula: C39 H27 Cl14 Fe
• Calculated formula: C39 H27 Cl14 Fe
• SMILES: [Fe]12345678([c]9([c]1([cH]2[c]3([c]49C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)/C=C/c1c(Cl)c(Cl)c(c(Cl)c1Cl)[C](c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C
• Title of publication: Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength
• Authors of publication: Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 808
• a: 8.771 ± 0.009 Å
• b: 15.632 ± 0.017 Å
• c: 17.623 ± 0.02 Å
• α: 71.72 ± 0.02°
• β: 86.96 ± 0.02°
• γ: 86.73 ± 0.03°
• Cell volume: 2289 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.33
• Residual factor for significantly intense reflections: 0.1698
• Weighted residual factors for significantly intense reflections: 0.3785
• Weighted residual factors for all reflections included in the refinement: 0.4274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No