Information card for entry 7002979

Structure parameters

• Formula: C26 H24 Fe
• Calculated formula: C26 H24 Fe
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81/C(=C(CC)\c1ccccc1)c1ccccc1
• Title of publication: Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol
• Authors of publication: Tan, Yong Leng Kelvin; Pigeon, Pascal; Hillard, Elizabeth A.; Top, Siden; Plamont, Marie-Aude; Vessières, Anne; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10871 - 10881
• a: 7.6189 ± 0.0006 Å
• b: 15.2824 ± 0.0011 Å
• c: 16.6026 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No