Information card for entry 7036551

Structure parameters

• Formula: C18 H10 Br2 N4 O6 Re2
• Calculated formula: C18 H10 Br2 N4 O6 Re2
• SMILES: Br[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1[N]1=Cc2cccc[n]2[Re]1(Br)(C#[O])(C#[O])C#[O]
• Title of publication: Hydrazine-mediated strongly coupled Re(CO)3 dimers.
• Authors of publication: Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17268 - 17277
• a: 11.4508 ± 0.0007 Å
• b: 11.8036 ± 0.0007 Å
• c: 11.8641 ± 0.0007 Å
• α: 75.213 ± 0.004°
• β: 67.04 ± 0.003°
• γ: 65.574 ± 0.004°
• Cell volume: 1335.9 ± 0.15 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: 0.0537
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No