Information card for entry 4309418

Structure parameters

• Common name: Re(DPYM)tricarbonyl
• Chemical name: Tricarbonyl-bromide-di(2-pyridyl)methane-rhenium
• Formula: C14 H10 Br N2 O3 Re
• Calculated formula: C14 H10 Br N2 O3 Re
• SMILES: [Re]1(Br)([n]2ccccc2Cc2[n]1cccc2)(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: 12.7491 ± 0.0012 Å
• b: 13.3015 ± 0.0013 Å
• c: 9.0112 ± 0.0009 Å
• α: 90°
• β: 107.195 ± 0.002°
• γ: 90°
• Cell volume: 1459.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No