Information card for entry 1513603

Structure parameters

• Formula: C36 H48 Cl4 Fe2 N8 O23
• Calculated formula: C36 H42 Cl4 Fe2 N8 O23
• Title of publication: A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies
• Authors of publication: Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 30
• a: 11.754 ± 0.003 Å
• b: 28.117 ± 0.004 Å
• c: 30.475 ± 0.005 Å
• α: 84.09 ± 0.03°
• β: 84.78 ± 0.03°
• γ: 87.29 ± 0.03°
• Cell volume: 9969 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No