Information card for entry 4339427

Structure parameters

• Formula: C45 H44 Cl8 Fe2 N8 O11
• Calculated formula: C45 H44 Cl8 Fe2 N8 O11
• Title of publication: Iron(III) complexes of tridentate 3N ligands as functional models for catechol dioxygenases: the role of ligand N-alkyl substitution and solvent on reaction rate and product selectivity.
• Authors of publication: Visvaganesan, Kusalendiran; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10294 - 10306
• a: 26.424 ± 0.01 Å
• b: 13.426 ± 0.005 Å
• c: 17.042 ± 0.007 Å
• α: 90°
• β: 117.496 ± 0.007°
• γ: 90°
• Cell volume: 5363 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1602
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No