Information card for entry 4333325

Structure parameters

• Common name: [Ru(η^5^C~5~H~5~)(N~2~){(Κ^2^-P,P')-^i^Pr~2~PNH(C~6~H~10~)NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~]
• Formula: C55 H57 B F24 N4 P2 Ru
• Calculated formula: C55 H57 B F24 N4 P2 Ru
• SMILES: [Ru]12345([P](N[C@H]6[C@H](N[P]1(C(C)C)C(C)C)CCCC6)(C(C)C)C(C)C)([N]#N)[cH]1[cH]5[cH]4[cH]3[cH]21.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with Phosphinoamine Ligands and Related Species: A Complex Containing (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New Coordination Form κ3P,P‘,N-η2-P,N
• Authors of publication: Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro; Lledós, Agustí; Veilly, Edouard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6958 - 6967
• a: 13.079 ± 0.003 Å
• b: 17.54 ± 0.004 Å
• c: 26.037 ± 0.005 Å
• α: 90°
• β: 93.51 ± 0.03°
• γ: 90°
• Cell volume: 5962 ± 2 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: 0.0613
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No