Information card for entry 4341593

Structure parameters

• Formula: C46 H66 Mo2 N4 O5
• Calculated formula: C46 H66 Mo2 N4 O5
• Title of publication: Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.
• Authors of publication: Leppin, Jana; Förster, Christoph; Heinze, Katja
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141113093953007
• a: 12.4578 ± 0.0011 Å
• b: 31.036 ± 0.003 Å
• c: 12.3794 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4786.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.201
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.733
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No