Information card for entry 2008678

Structure parameters

• Common name: Di-2-(pyrrolyl)methylferrocene
• Chemical name: Di-2-(pyrrolyl)methylferrocene
• Formula: C19 H18 Fe N2
• Calculated formula: C19 H18 Fe N2
• Title of publication: Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor
• Authors of publication: Gallagher, John F.; Moriarty, Elena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1079 - 1082
• a: 15.5486 ± 0.001 Å
• b: 7.7295 ± 0.0005 Å
• c: 25.647 ± 0.003 Å
• α: 90°
• β: 96.005 ± 0.006°
• γ: 90°
• Cell volume: 3065.4 ± 0.5 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No