Information card for entry 7001585

Structure parameters

• Formula: C72 H96 Fe2 N4 O7
• Calculated formula: C72 H92 Fe2 N4 O7
• Title of publication: Chemoselective and biomimetic hydroxylation of hydrocarbons by non-heme μ-oxo-bridged diiron(iii) catalysts using m-CPBA as oxidant
• Authors of publication: Mayilmurugan, Ramasamy; Stoeckli-Evans, Helen; Suresh, Eringathodi; Palaniandavar, Mallayan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5101 - 5114
• a: 14.1982 ± 0.0012 Å
• b: 15.1411 ± 0.0013 Å
• c: 17.9586 ± 0.0016 Å
• α: 101.532 ± 0.007°
• β: 102.963 ± 0.007°
• γ: 100.443 ± 0.007°
• Cell volume: 3581.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No