Information card for entry 4076248

Structure parameters

• Formula: C28 H22 Fe N4 O3
• Calculated formula: C28 H22 Fe N4 O3
• Title of publication: Binding and Electrochemical Recognition of Barbiturate and Urea Derivatives by a Regioisomeric Series of Hydrogen-Bonding Ferrocene Receptors
• Authors of publication: Westwood, Joanna; Coles, Simon J.; Collinson, Simon R.; Gasser, Gilles; Green, Stephen J.; Hursthouse, Michael B.; Light, Mark E.; Tucker, James H. R.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 946
• a: 11.862 ± 0.002 Å
• b: 17.91 ± 0.004 Å
• c: 24.123 ± 0.005 Å
• α: 90°
• β: 90.95 ± 0.03°
• γ: 90°
• Cell volume: 5124.2 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No