Information card for entry 1100843

Structure parameters

• Formula: C16 H38 Cl2 O P2 Ru
• Calculated formula: C16 H38 Cl2 O P2 Ru
• Title of publication: Substituents Effects in POP Pincer Complexes of Ruthenium
• Authors of publication: Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2492 - 2501
• a: 10.7468 ± 0.0004 Å
• b: 16.5738 ± 0.0004 Å
• c: 12.9615 ± 0.0005 Å
• α: 90°
• β: 109.736 ± 0.0014°
• γ: 90°
• Cell volume: 2173.03 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No