Information card for entry 4083362

Structure parameters

• Formula: C39 H24 Cl2 Fe N4 O3
• Calculated formula: C39 H24 Cl2 Fe N4 O3
• Title of publication: Ferrocene‒Triazole‒Pyrene Triads as Multichannel Heteroditopic Recognition Receptors for Anions, Cations and Ion Pairs
• Authors of publication: González, Mar\?ía del Carmen; Otón, Francisco; Orenes, Raúl A.; Espinosa, Arturo; Tárraga, Alberto; Molina, Pedro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2837
• a: 7.0939 ± 0.0005 Å
• b: 12.2705 ± 0.0008 Å
• c: 19.1313 ± 0.0013 Å
• α: 74.721 ± 0.002°
• β: 86.629 ± 0.002°
• γ: 80.211 ± 0.002°
• Cell volume: 1582.88 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No