Information card for entry 2216898

Structure parameters

• Chemical name: N'-Ferrocenyl-2-hydroxybenzohydrazide
• Formula: C18 H16 Fe N2 O3
• Calculated formula: C18 H16 Fe N2 O3
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)C(=O)NNC(=O)c1ccccc1O
• Title of publication: <i>N</i>'-Ferrocenyl-2-hydroxybenzohydrazide
• Authors of publication: Xu, Ying; Chen, Chun-Ling; Zhou, Jing; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m177 - m177
• a: 20.68 ± 0.003 Å
• b: 9.9673 ± 0.0015 Å
• c: 16.941 ± 0.003 Å
• α: 90°
• β: 121.704 ± 0.003°
• γ: 90°
• Cell volume: 2970.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes