Information card for entry 2220145

Structure parameters

• Chemical name: 4-Ferrocenylphenol
• Formula: C16 H14 Fe O
• Calculated formula: C16 H14 Fe O
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)c1ccc(cc1)O
• Title of publication: 4-Ferrocenylphenol
• Authors of publication: Nyamori, Vincent O.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1630
• a: 9.95 ± 0.002 Å
• b: 7.9205 ± 0.0017 Å
• c: 31.046 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2446.7 ± 0.9 ų
• Cell temperature: 173 ± 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 significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes