Information card for entry 7027604

Structure parameters

• Formula: C24 H32 Fe N4 O6.5
• Calculated formula: C24 H27 Fe N4 O6.5
• Title of publication: Clusters in bis-tridentate tethered domains of an iron chelating drug †
• Authors of publication: Henderson, William; Koh, Lip L.; Ranford, John D.; Robinson, Ward T.; Svensson, Jan O.; Vittal, Jagadese J.; Wang, Yu M.; Xu, Yan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3341
• a: 11.135 ± 0.002 Å
• b: 19.35 ± 0.004 Å
• c: 12.405 ± 0.002 Å
• α: 90°
• β: 98.48 ± 0.03°
• γ: 90°
• Cell volume: 2643.6 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No