Information card for entry 7019609

Structure parameters

• Formula: C31 H26 Fe O
• Calculated formula: C31 H26 Fe O
• Title of publication: Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.
• Authors of publication: Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7537 - 7549
• a: 14.95 ± 0.002 Å
• b: 9.9214 ± 0.0013 Å
• c: 15.579 ± 0.002 Å
• α: 90°
• β: 98.413 ± 0.007°
• γ: 90°
• Cell volume: 2285.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No