Information card for entry 7027606

Structure parameters

• Formula: C36 H43 Cl Fe N P Ru
• Calculated formula: C36 H43 Cl Fe N P Ru
• SMILES: [RuH]1234(Cl)([P]([c]56[c]78[Fe]9%10%11%12%13%145([c]8([cH]%10[cH]69)CCCC7[N]1(C)C)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)(c1ccccc1)c1ccccc1)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: A comparative study of the synthesis, stereochemical characterization and reactivity of new chiral ruthenium(II) complexes with (aminoferrocenyl)phosphine ligands. X-Ray crystal structure of RuClH(cod)(PTFA) and Ru(η3-C8H13)Cl(PPFA) [PTFA = 1-diphenylphosphino-2,3-endo-(α-dimethylamino)tetramethyleneferrocene and PPFA = 2-(1-dimethylaminoethyl)-1-diphenylphosphinoferrocene] †
• Authors of publication: Jalón, Félix A.; López-Agenjo, Ana; Manzano, Blanca R.; Moreno-Lara, Montserrat; Rodríguez, Ana; Sturm, Thomas; Weissensteiner, Walter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 4031
• a: 11.26 ± 0.001 Å
• b: 22.998 ± 0.008 Å
• c: 12.0024 ± 0.0009 Å
• α: 90°
• β: 91.369 ± 0.007°
• γ: 90°
• Cell volume: 3107.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.0608
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 0.874
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No