Information card for entry 4309422

Structure parameters

• Common name: Re(PADA)tricarbony
• Chemical name: Tricarbonyl-picolylaminediaceticacid-rhenium
• Formula: C13 H11 N2 O7 Re
• Calculated formula: C13 H11 N2 O7 Re
• SMILES: [Re]12([n]3c(cccc3)C[N]2(CC(=O)O)CC(=O)O1)(C#[O])(C#[O])C#[O]
• 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: 14.567 ± 0.0012 Å
• b: 13.1451 ± 0.0011 Å
• c: 14.8647 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2846.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No