Information card for entry 7050880

Structure parameters

• Chemical name: Phil Gale
• Formula: C38 H31 Fe2 N3 O2
• Calculated formula: C38 H31 Fe2 N3 O2
• Title of publication: Anion complexation and electrochemical behaviour of ferrocene-appended amido-pyrrole cleftsElectronic supplementary information (ESI) available: 1H and 13C NMR spectra of 1 and 2, 1H NMR titrations of 1 and 2 with various putative anionic guests and with chloride following ferrocene CH resonances. See http://www.rsc.org/suppdata/nj/b2/b202989h/
• Authors of publication: Denuault, Guy; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.; Warriner, Colin N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 811
• a: 12.7602 ± 0.0003 Å
• b: 14.1906 ± 0.0004 Å
• c: 17.3431 ± 0.0005 Å
• α: 87.721 ± 0.001°
• β: 83.137 ± 0.001°
• γ: 75.782 ± 0.002°
• Cell volume: 3022.21 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No