Information card for entry 2205278

Structure parameters

• Common name: ttt-(PPh3)2Cl2(CNbz)2Ru(II)
• Chemical name: trans-trans-trans-(Dibenzylisocyanide-κC)dichlorobis(triphenylphosphine- κP)ruthenium(II) dichloromethane hemisolvate
• Formula: C53 H46 Cl4 N2 P2 Ru
• Calculated formula: C53 H46 Cl4 N2 P2 Ru
• SMILES: C(#[N]Cc1ccccc1)[Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(C#[N]Cc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.ClCCl
• Title of publication: <i>trans</i>-<i>trans</i>-<i>trans</i>-Bis(benzyl isocyanide-κ<i>C</i>)dichlorobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) dichloromethane solvate
• Authors of publication: Look, Jennifer L.; Horwood, Owen P. M.; Levendis, Demetrius C.; Coville, Neil J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m606 - m608
• a: 13.119 ± 0.002 Å
• b: 13.314 ± 0.002 Å
• c: 14.918 ± 0.003 Å
• α: 98.917 ± 0.004°
• β: 90.842 ± 0.004°
• γ: 110.201 ± 0.004°
• Cell volume: 2409.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes