Information card for entry 8106645

Structure parameters

• Chemical name: (5-Methyl-1,2,4-oxadiazol-3-yl)ferrocene
• Formula: C13 H12 Fe N2 O
• Calculated formula: C13 H12 Fe N2 O
• Title of publication: The crystal structure of (5-methyl-1,2,4-oxadiazol-3-yl)ferrocene, C13H12FeN2O
• Authors of publication: Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 693 - 695
• a: 5.9035 ± 0.0002 Å
• b: 20.7111 ± 0.0006 Å
• c: 9.1403 ± 0.0003 Å
• α: 90°
• β: 90.0762 ± 0.0016°
• γ: 90°
• Cell volume: 1117.57 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No