Information card for entry 4075476

Structure parameters

• Common name: compound 2.2CH2Cl2
• Formula: C47 H45 Cl6 Fe N P2 Ru
• Calculated formula: C47 H45 Cl6 Fe N P2 Ru
• SMILES: [Ru]1([P]([c]23[cH]4[Fe]56789%10%112[c]3([cH]6[cH]45)C(N(C=1)C)CC[c]17[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Formation of Fischer-Type Aminocarbenes by a Double C−H Bond Activation of a Methylamino Group⊥
• Authors of publication: Carrión, M. Carmen; García-Vaquero, Ernesto; Jalón, Félix A.; Manzano, Blanca R.; Weissensteiner, Walter; Mereiter, Kurt
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4498
• a: 24.633 ± 0.005 Å
• b: 11.588 ± 0.003 Å
• c: 15.585 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4448.7 ± 1.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No