Information card for entry 2222697

Structure parameters

• Common name: [Ru(Cp*)(κ^1^P-Ph~2~PCl)(κ^1^P-Ph~2~PNC~5~H~10~)Cl]
• Chemical name: Chlorido(chlorodiphenylphosphine-κ<i>P</i>)(diphenylpiperidinophosphine- κ<i>P</i>)(η^5^-pentamethylcyclopentadienyl)ruthenium(II)
• Formula: C39 H45 Cl2 N P2 Ru
• Calculated formula: C39 H45 Cl2 N P2 Ru
• SMILES: [Ru]1234(Cl)([P](N5CCCCC5)(c5ccccc5)c5ccccc5)([P](Cl)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Chlorido(chlorodiphenylphosphine-κ<i>P</i>)(diphenylpiperidinophosphine-κ<i>P</i>)(η^5^-pentamethylcyclopentadienyl)ruthenium(II)
• Authors of publication: Jantscher, Florian; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m941
• a: 17.5427 ± 0.0012 Å
• b: 9.1014 ± 0.0006 Å
• c: 22.3459 ± 0.0015 Å
• α: 90°
• β: 98.881 ± 0.001°
• γ: 90°
• Cell volume: 3525 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes