Information card for entry 7027607

Structure parameters

• Formula: C34 H41 Cl Fe N P Ru
• Calculated formula: C34 H41 Cl Fe N P Ru
• SMILES: [Ru]123(Cl)([P](c4ccccc4)(c4ccccc4)[c]45[cH]6[Fe]789%10%11%124([cH]6[cH]7[c]58C([N]1(C)C)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[CH]1=[CH]2C3CCCCC1
• 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: 9.477 ± 0.005 Å
• b: 16.102 ± 0.001 Å
• c: 20.281 ± 0.003 Å
• α: 90°
• β: 103.57 ± 0.02°
• γ: 90°
• Cell volume: 3008.5 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.0615
• Goodness-of-fit parameter for all reflections: 0.8
• Goodness-of-fit parameter for significantly intense reflections: 0.687
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No