Information card for entry 2209082

Structure parameters

• Chemical name: (N-Ferrocenylmethyl)dimethylammonium nitrate
• Formula: C13 H18 Fe N2 O3
• Calculated formula: C13 H18 Fe N2 O3
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C[NH+](C)C)[cH]1[cH]5[cH]6[cH]7[cH]81.O=N(=O)[O-]
• Title of publication: (<i>N</i>-Ferrocenylmethyl)dimethylammonium nitrate
• Authors of publication: Guo, Hong-Xu; Yang, Liu-Ming; Zhang, Shi-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1338 - m1339
• a: 17.4375 ± 0.0014 Å
• b: 7.4054 ± 0.0005 Å
• c: 11.0348 ± 0.0009 Å
• α: 90°
• β: 104.049 ± 0.002°
• γ: 90°
• Cell volume: 1382.32 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes