Information card for entry 7036203

Structure parameters

• Formula: C45 H44 Cl N O2 P2 Ru
• Calculated formula: C45 H44 Cl N O2 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: 21.311 ± 0.01 Å
• b: 15.163 ± 0.007 Å
• c: 26.456 ± 0.012 Å
• α: 90°
• β: 111.72 ± 0.05°
• γ: 90°
• Cell volume: 7942 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No