Information card for entry 4317095

Structure parameters

• Common name: [ReO(H2L2)Cl3]
• Formula: C19 H18 Cl3 N O P Re
• Calculated formula: C19 H18 Cl3 N O P Re
• SMILES: [Re]1(=O)(Cl)(Cl)(Cl)[P](Cc2ccccc2[NH2]1)(c1ccccc1)c1ccccc1
• Title of publication: Rhenium Complexes with 2-(Diphenylphosphinomethyl)aniline: Formation of a Cyclic, Trinuclear Oxorhenium(V) Core
• Authors of publication: Jennifer Schroer; Stefan Wagner; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10694 - 10701
• a: 9.448 ± 0.001 Å
• b: 9.913 ± 0.001 Å
• c: 13.075 ± 0.001 Å
• α: 101.64 ± 0.01°
• β: 103.78 ± 0.01°
• γ: 114.2 ± 0.01°
• Cell volume: 1021 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No