Information card for entry 2231866

Structure parameters

• Chemical name: Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V)
• Formula: C28 H26 Br2 N2 O2 P Re
• Calculated formula: C28 H26 Br2 N2 O2 P Re
• SMILES: [Re]1(Br)(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=N[N]1=C(C)C)c1ccccc1)=O
• Title of publication: Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V)
• Authors of publication: Yumata, Nonzaliseko; Gerber, Thomas; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1337
• a: 19.113 ± 0.0005 Å
• b: 18.391 ± 0.0004 Å
• c: 15.814 ± 0.0004 Å
• α: 90°
• β: 97.41 ± 0.001°
• γ: 90°
• Cell volume: 5512.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes