Information card for entry 4303179

Structure parameters

• Formula: C16 H28 Br2 N5 O2 Re
• Calculated formula: C16 H28 Br2 N5 O2 Re
• SMILES: [Re](C#[O])(C#[O])([n]1c[nH]cc1)([n]1c[nH]cc1)(Br)Br.C(C)[N+](CC)(CC)CC
• Title of publication: Synthesis and Reactivity of the 17 e-Complex [ReIIBr4(CO)2]2-: A Convenient Entry into Rhenium(II) Chemistry
• Authors of publication: Fabio Zobi; Lukas Kromer; Bernhard Spingler; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8965 - 8970
• a: 8.0465 ± 0.0005 Å
• b: 18.4213 ± 0.001 Å
• c: 14.7645 ± 0.0011 Å
• α: 90°
• β: 99.161 ± 0.008°
• γ: 90°
• Cell volume: 2160.6 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No