Information card for entry 4063672

Structure parameters

• Formula: C58 H56 B Fe O P Ru
• Calculated formula: C58 H56 B Fe O P Ru
• SMILES: [RuH]123456([P]([c]78[cH]9[Fe]%10%11%12%13%14%157([c]8(C(=[O]1)C)[cH]%10[cH]9%11)[cH]1[cH]%15[cH]%14[cH]%13[cH]%121)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.c1(ccccc1)[B-](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: 13.503 ± 0.0005 Å
• b: 12.297 ± 0.0004 Å
• c: 15.103 ± 0.0006 Å
• α: 90°
• β: 113.286 ± 0.002°
• γ: 90°
• Cell volume: 2303.52 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No