Information card for entry 7036201

Structure parameters

• Formula: C38 H38 Cl4 N2 P2 Ru
• Calculated formula: C38 H38 Cl4 N2 P2 Ru
• Title of publication: Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.
• Authors of publication: Xu, W.; Langer, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16785 - 16790
• a: 10.341 ± 0.005 Å
• b: 13.774 ± 0.005 Å
• c: 14.28 ± 0.005 Å
• α: 72.073 ± 0.005°
• β: 73.198 ± 0.005°
• γ: 74.158 ± 0.005°
• Cell volume: 1814.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No