Information card for entry 4063864

Structure parameters

• Formula: C30 H25 Cl F6 N2 O P2 Ru
• Calculated formula: C30 H25 Cl F6 N2 O P2 Ru
• SMILES: [Ru]123456(Cl)([O]=C(N=P(c7ccccc7)(c7ccccc7)c7ccccc7)c7cccc[n]17)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes
• Authors of publication: Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 642
• a: 8.9225 ± 0.0003 Å
• b: 12.8395 ± 0.0004 Å
• c: 14.0101 ± 0.0005 Å
• α: 79.197 ± 0.003°
• β: 85.263 ± 0.003°
• γ: 70.482 ± 0.003°
• Cell volume: 1485.62 ± 0.09 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No