Information card for entry 7010825

Structure parameters

• Chemical name: [(RRu, RC, Spl)-bromo-(eta$5!-cyclopentadienyl)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] chloroform solvate
• Formula: C32 H34 Br Cl3 Fe N P Ru
• Calculated formula: C32 H34 Br Cl3 Fe N P Ru
• SMILES: [Ru]12345(Br)([P]([c]67[c]8([Fe]9%10%11%12%13%146([cH]6[cH]%12[cH]%11[cH]%10[cH]96)[cH]7[cH]%13[cH]8%14)[C@H]([N]1(C)C)C)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.C(Cl)(Cl)Cl
• Title of publication: Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/
• Authors of publication: Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2989
• a: 9.542 ± 0.006 Å
• b: 34.54 ± 0.02 Å
• c: 10.164 ± 0.006 Å
• α: 90°
• β: 109.67 ± 0.03°
• γ: 90°
• Cell volume: 3154 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No