Information card for entry 7036549

Structure parameters

• Formula: C15 H10 Br N4 O3 Re
• Calculated formula: C15 H10 Br N4 O3 Re
• SMILES: [Re]1(Br)([n]2ccccc2C=[N]1/N=C/c1ncccc1)(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: 7.036 ± 0.003 Å
• b: 9.082 ± 0.004 Å
• c: 13.336 ± 0.006 Å
• α: 81.144 ± 0.004°
• β: 84.259 ± 0.004°
• γ: 72.527 ± 0.004°
• Cell volume: 801.9 ± 0.6 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: 0.0209
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No