Information card for entry 7016436

Structure parameters

• Formula: C24 H36 Cl4 Fe2 N10 O10
• Calculated formula: C24 H36 Cl4 Fe2 N10 O10
• SMILES: c1cn(c2C[N]34Cc5n(cc[n]5[Fe]54([n]12)([O](CC3)[Fe]123([n]4ccn(c4C[N]1(Cc1n(cc[n]21)C)CC[O]53)C)Cl)Cl)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Biomimetic iron(iii) complexes of N(3)O and N(3)O(2) donor ligands: protonation of coordinated ethanolate donor enhances dioxygenase activity.
• Authors of publication: Sundaravel, Karuppasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8444 - 8458
• a: 8.1513 ± 0.0007 Å
• b: 12.0527 ± 0.001 Å
• c: 17.3786 ± 0.0015 Å
• α: 90°
• β: 90.675 ± 0.001°
• γ: 90°
• Cell volume: 1707.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No