Information card for entry 4327214

Structure parameters

• Common name: C1
• Formula: C19 H30 Cu Fe N6 O6
• Calculated formula: C19 H30 Cu Fe N6 O6
• Title of publication: Binding of Nitrate to a CuII-Cyclen Complex Bearing a Ferrocenyl Pendant: Synthesis, Solid-State X-ray Structure, and Solution-Phase Electrochemical and Spectrophotometric Studies
• Authors of publication: Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3876 - 3888
• a: 16.6366 ± 0.0011 Å
• b: 9.9935 ± 0.0007 Å
• c: 13.6266 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2265.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No