Information card for entry 4084053

Structure parameters

• Formula: C23 H23 Fe N
• Calculated formula: C23 H23 Fe N
• SMILES: [Fe]12345678([c]9(c%10c%11ncccc%11ccc%10)[c]1([c]2([c]3([c]49C)C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†
• Authors of publication: Enders, Markus; Ludwig, Gunter; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3856
• a: 12.36 ± 0.006 Å
• b: 16.735 ± 0.008 Å
• c: 17.747 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3671 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No