Information card for entry 7001369

Structure parameters

• Formula: C27 H23 Fe N
• Calculated formula: C27 H23 Fe N
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81C(=C(\c1ccc(C#N)cc1)c1ccccc1)/CC
• Title of publication: Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds
• Authors of publication: Zekri, Ouardia; Hillard, Elizabeth A.; Top, Siden; Vessières, Anne; Pigeon, Pascal; Plamont, Marie-Aude; Huché, Michel; Boutamine, Sultana; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4318 - 4326
• a: 9.3209 ± 0.0014 Å
• b: 11.1348 ± 0.0016 Å
• c: 11.6176 ± 0.0017 Å
• α: 100.243 ± 0.003°
• β: 109.304 ± 0.002°
• γ: 107.291 ± 0.002°
• Cell volume: 1034.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No