Information card for entry 7224987

Structure parameters

• Formula: C26 H22 Fe
• Calculated formula: C26 H22 Fe
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1cc(ccc1)C=C)[c]1([cH]5[cH]6[cH]7[cH]81)c1cc(ccc1)C=C
• Title of publication: An efficient catalytic synthesis and characterization of new styryl-ferrocenes and their trans-π-conjugated organosilicon materials
• Authors of publication: Majchrzak, M.; Kostera, S.; Grzelak, M.; Marciniec, B.; Kubicki, M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 46
• Pages of publication: 39947
• a: 8.154 ± 0.002 Å
• b: 10.448 ± 0.002 Å
• c: 21.731 ± 0.004 Å
• α: 90°
• β: 93.37 ± 0.02°
• γ: 90°
• Cell volume: 1848.1 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No