Information card for entry 2218371

Structure parameters

• Chemical name: Dichloridobis[(1<i>S</i>,1S',2<i>R</i>,2<i>R</i>')-(+)-1,1'-di-<i>tert</i>-butyl-2,2'- diphospholane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II)
• Formula: C32 H64 Cl2 P4 Ru
• Calculated formula: C32 H64 Cl2 P4 Ru
• SMILES: CC(C)(C)[P@@]12CCC[C@@H]1[C@H]1CCC[P@@]1(C(C)(C)C)[Ru]12([P@]2([C@@H]([C@H]3CCC[P@@]13C(C)(C)C)CCC2)C(C)(C)C)(Cl)Cl
• Title of publication: Dichloridobis[(1<i>S</i>,1<i>S</i>',2<i>R</i>,2<i>R</i>')-(+)-1,1'-di-<i>tert</i>-butyl-2,2'-diphospholane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II)
• Authors of publication: Wang, Chubei; Tao, Haiyan; Ji, Baoming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m754
• a: 11.864 ± 0.0014 Å
• b: 20.669 ± 0.003 Å
• c: 14.2274 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488.8 ± 0.8 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes