Information card for entry 2201665

Structure parameters

• Chemical name: [RuCl{2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)pyridine}(PPh~3~)~2~]BF~4~ dichloromethane solvate
• Formula: C50 H47 B Cl3 F4 N3 P2 Ru
• Calculated formula: C50 H47 B Cl3 F4 N3 P2 Ru
• Title of publication: [RuCl{2,6-bis(3,4-dihydro-2<i>H</i>-pyrrol-5-yl)pyridine}(PPh~3~)~2~]BF~4~ dichloromethane solvate
• Authors of publication: Cabort, Amel; Therrien, Bruno; Bernauer, Klaus; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m557 - m558
• a: 10.3368 ± 0.0008 Å
• b: 12.7939 ± 0.0011 Å
• c: 19.1336 ± 0.0016 Å
• α: 80.231 ± 0.01°
• β: 89.193 ± 0.009°
• γ: 67.943 ± 0.009°
• Cell volume: 2307.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes