Information card for entry 4305383

Structure parameters

• Formula: C3 H9 Br N3 O3 Re
• Calculated formula: C3 H9 Br N3 O3 Re
• SMILES: [Re]([NH3])([NH3])(C#[O])([NH3])(C#[O])C#[O].[Br-]
• Title of publication: Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions
• Authors of publication: Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5902 - 5909
• a: 6.9409 ± 0.0011 Å
• b: 15.361 ± 0.002 Å
• c: 17.28 ± 0.003 Å
• α: 87.936 ± 0.003°
• β: 88.417 ± 0.003°
• γ: 88.849 ± 0.005°
• Cell volume: 1840.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No