Information card for entry 2204523

Structure parameters

• Chemical name: 1-(1-Ferrocenyl-1-methoxy-3-phenylpropan-2-yl)-1H-1,2,4-triazole
• Formula: C22 H23 Fe N3 O
• Calculated formula: C22 H23 Fe N3 O
• Title of publication: 1-(1-Ferrocenyl-1-methoxy-3-phenyl-2-propyl)-1<i>H</i>-1,2,4-triazole
• Authors of publication: Jin, Zhong; Song, Hai-bing; Liu, Wei; Hu, Yan; Liu, Jian-bin; Shao, Ling; Fang, Jian-xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1692 - m1694
• a: 10.165 ± 0.005 Å
• b: 14.205 ± 0.007 Å
• c: 13.262 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1915 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes