Information card for entry 4307410

Structure parameters

• Common name: C3
• Chemical name: C3
• Formula: C42 H68 Cl4 Fe2 N14 O8 Zn2
• Calculated formula: C42 H66 Cl4 Fe2 N10.024 O8 Zn2
• Title of publication: Recognition of Thymine and Related Nucleosides by a ZnII-Cyclen Complex Bearing a Ferrocenyl Pendant
• Authors of publication: Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Zuzanna Kosowski; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1665 - 1674
• a: 11.3576 ± 0.0007 Å
• b: 9.2364 ± 0.0005 Å
• c: 24.7717 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2598.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No