Information card for entry 2234810

Structure parameters

• Chemical name: <i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^- dioxaphospholan-2-yloxy)butan-2-olato- κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)
• Formula: C30 H39 Cl2 O5 P2 Re
• Calculated formula: C30 H39 Cl2 O5 P2 Re
• SMILES: [Re]1(Cl)(Cl)([P]2(OC(C(O1)(C)C)(C)C)OC(C)(C)C(O2)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=O
• Title of publication: <i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^-dioxaphospholan-2-yloxy)butan-2-olato-κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)
• Authors of publication: Skarżyńska, Anna; Siczek, Miłosz; Gniewek, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m605 - m606
• a: 10.963 ± 0.003 Å
• b: 16.328 ± 0.004 Å
• c: 17.797 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes