Information card for entry 7053729

Structure parameters

• Formula: C24 H21 Fe N3 O2
• Calculated formula: C24 H21 Fe N3 O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)NC(=O)Nc1ccccc1NC(=O)c1ccccc1
• Title of publication: Anion-triggered electrodeposition in ferrocene-functionalised ortho-phenylenediamine-based receptors
• Authors of publication: Arroyo, Marta; Birkin, Peter R.; Gale, Philip A.; García-Garrido, Sergio E.; Light, Mark E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 1221
• a: 15.3994 ± 0.0006 Å
• b: 9.3582 ± 0.0004 Å
• c: 14.7688 ± 0.0006 Å
• α: 90°
• β: 110.351 ± 0.002°
• γ: 90°
• Cell volume: 1995.49 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No