Information card for entry 7027375

Structure parameters

• Formula: C35 H39 Fe2 N23 O7
• Calculated formula: C35 H33 Fe2 N23 O7
• Title of publication: Using pseudohalides (NCS−, N3−) as a probe for the active site of (μ-alkoxo)diiron(III) complexes and to reveal a novel asymmetrical structure
• Authors of publication: Horng, Den-Nan; Lee, Kwang-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2205
• a: 21.338 ± 0.004 Å
• b: 15.685 ± 0.003 Å
• c: 28.017 ± 0.006 Å
• α: 90°
• β: 102.68 ± 0.03°
• γ: 90°
• Cell volume: 9148 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.3903
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections: 0.3346
• Weighted residual factors for significantly intense reflections: 0.1944
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No