Information card for entry 7110843

Structure parameters

• Formula: C37 H43 Cl3 Fe2 N10 O16
• Calculated formula: C37 H42 Cl3 Fe2 N10 O16
• Title of publication: A dinuclear iron(iii) complex with a bridging urea anion: implications for the urease mechanism
• Authors of publication: Kryatov, Sergey V.; Rybak-Akimova, Elena V.; Nazarenko, Alexander Y.; Robinson, Paul D.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 921
• a: 12.178 ± 0.003 Å
• b: 10.329 ± 0.005 Å
• c: 39.179 ± 0.01 Å
• α: 90 ± 0.03°
• β: 94.65 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 4912 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2428
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.2835
• Weighted residual factors for significantly intense reflections: 0.1901
• Goodness-of-fit parameter for all reflections: 0.971
• Goodness-of-fit parameter for significantly intense reflections: 1.208
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No