Information card for entry 4063671

Structure parameters

• Formula: C55 H52 B Cl Fe N P Ru
• Calculated formula: C55 H52 B Cl Fe N P Ru
• SMILES: [Ru]123456(Cl)([P]([c]78[Fe]9%10%11%12%13%14%15([c]7([cH]9[cH]%10[cH]8%11)[C@H]([NH]1C)C)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)(c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]5[cH]4[cH]3[cH]21.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ruthenium Arene Derivatives of Chiral Ferrocene-Based P,N or P,O Ligands. Transformation of Chloro‒Alcohol into Hydrido‒Carbonyl Complexes
• Authors of publication: Torres, Javier; Sepúlveda, Francisco; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mucientes, Antonio E.; Peña, M. Angeles de la
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3490
• a: 11.1896 ± 0.0007 Å
• b: 13.6623 ± 0.0008 Å
• c: 29.1518 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4456.6 ± 0.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 8
• 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: 0.1306
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No