Information card for entry 7036552

Structure parameters

• Formula: C9 H7 Cl N3 O3 Re
• Calculated formula: C9 H7 Cl N3 O3 Re
• SMILES: c1cccc2C=[N](N)[Re](C#[O])(C#[O])(C#[O])(Cl)[n]12
• 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: 6.4068 ± 0.0003 Å
• b: 8.8341 ± 0.0005 Å
• c: 14.4493 ± 0.0008 Å
• α: 90°
• β: 101.947 ± 0.003°
• γ: 90°
• Cell volume: 800.09 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No