Information card for entry 4504828

Structure parameters

• Formula: C24 H38 Fe
• Calculated formula: C24 H38 Fe
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CCCCCCCCCCCCCC)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Tetradecylferrocene: ordered molecular array of an organometallic amphiphile in the crystal and in a two-dimensional assembled structure on a surface.
• Authors of publication: Wedeking, Katrin; Mu, Zhongcheng; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Chi, Lifeng; Fuchs, Harald
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2006
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 3161 - 3165
• a: 55.313 ± 0.001 Å
• b: 7.919 ± 0.001 Å
• c: 9.818 ± 0.001 Å
• α: 90°
• β: 99.63 ± 0.01°
• γ: 90°
• Cell volume: 4239.9 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No