Information card for entry 4309421

Structure parameters

• Common name: Re(DPYM)nitrosyl
• Chemical name: Bromo-dicarbonyl-nitrosyl-bromide-di(2-pyridyl)methane-rhenium
• Formula: C16 H16 Br2 N3 O5 Re
• Calculated formula: C16 H16 Br2 N3 O5 Re
• SMILES: [Re]1(C#[O])(C#[O])([n]2ccccc2Cc2cccc[n]12)(N=O)Br.C(=O)(C)C.O.[Br-]
• 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: 9.8236 ± 0.0008 Å
• b: 10.0949 ± 0.0008 Å
• c: 12.5346 ± 0.001 Å
• α: 108.679 ± 0.009°
• β: 111.992 ± 0.009°
• γ: 95.426 ± 0.01°
• Cell volume: 1058.82 ± 0.19 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No