Information card for entry 4303180

Structure parameters

• Formula: C8 H8 Br2 N4 O2 Re
• Calculated formula: C8 H8 Br2 N4 O2 Re
• SMILES: c1[n](cc[nH]1)[Re](Br)(C#[O])(C#[O])([n]1c[nH]cc1)Br
• 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: 7.3362 ± 0.0001 Å
• b: 14.1371 ± 0.0001 Å
• c: 12.7196 ± 0.0002 Å
• α: 90°
• β: 90.1415 ± 0.0012°
• γ: 90°
• Cell volume: 1319.18 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No