Information card for entry 7002991

Structure parameters

• Formula: C26 H20 Fe N3 O6
• Calculated formula: C26 H20 Fe N3 O6
• SMILES: [Fe]1234(Oc5ccccc5C=[N]3CC[N]4=Cc3ccccc3O1)ONC(=[O]2)C1C(=O)Oc2ccccc2C=1
• Title of publication: Iron(iii) complexes of fluorescent hydroxamate ligands: preparation, properties, and cellular processing
• Authors of publication: Clarke, Antonia J.; Yamamoto, Natsuho; Jensen, Paul; Hambley, Trevor W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10787 - 10798
• a: 10.9767 ± 0.0006 Å
• b: 16.7965 ± 0.0009 Å
• c: 18.7119 ± 0.0012 Å
• α: 84.418 ± 0.002°
• β: 85.093 ± 0.003°
• γ: 86.652 ± 0.002°
• Cell volume: 3416.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No