Information card for entry 2206446

Structure parameters

• Chemical name: 1-{(2-chlorophenyl)[(4-methylphenyl)imino]methyl}ferrocene
• Formula: C24 H20 Cl Fe N
• Calculated formula: C24 H20 Cl Fe N
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=N/c1ccc(cc1)C)/c1ccccc1Cl)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: 1-{(2-Chlorophenyl)[(4-methylphenyl)imino]methyl}ferrocene
• Authors of publication: Hong-Xing Wang; Hui-Chao Zhou; Hong-Fei Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1623 - m1624
• a: 7.624 ± 0.005 Å
• b: 10.436 ± 0.006 Å
• c: 12.791 ± 0.008 Å
• α: 99.096 ± 0.007°
• β: 98.257 ± 0.007°
• γ: 98.981 ± 0.007°
• Cell volume: 977.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes