Information card for entry 4309419

Structure parameters

• Common name: Re(PADA)nitrosyl
• Chemical name: Carbonyl-nitrosyl-picolylaminediaceticacid-rhenium
• Formula: C23 H24 N6 O13 Re2
• Calculated formula: C23 H24 N6 O13 Re2
• SMILES: [Re]123(C#[O])(N=O)[N](CC(=O)O2)(CC(=O)O3)Cc2cccc[n]12.CO
• Title of publication: Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media
• Authors of publication: Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6082 - 6091
• a: 14.6071 ± 0.0006 Å
• b: 8.0573 ± 0.0003 Å
• c: 24.721 ± 0.0011 Å
• α: 90°
• β: 107.117 ± 0.005°
• γ: 90°
• Cell volume: 2780.6 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No