Information card for entry 7042515

Structure parameters

• Formula: C158 H157 Fe2 N19 O24
• Calculated formula: C158 H157 Fe2 N19 O24
• Title of publication: Metal coordination of ferrocene-histidine conjugates.
• Authors of publication: Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4844 - 4859
• a: 20.9646 ± 0.0005 Å
• b: 22.0475 ± 0.0005 Å
• c: 31.1954 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14419 ± 0.6 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No