Information card for entry 7112869

Structure parameters

• Formula: C47 H50 P2 Ru
• Calculated formula: C47 H50 P2 Ru
• SMILES: [Ru]1234([PH](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[c]13cccc[c]451)C#Cc1ccccc1
• Title of publication: The [2+2] cycloaddition of alkynes at a Ru-P pi-bond.
• Authors of publication: Derrah, Eric J.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4592 - 4594
• a: 9.8234 ± 0.0011 Å
• b: 10.0881 ± 0.0011 Å
• c: 22.744 ± 0.002 Å
• α: 70.4887 ± 0.0012°
• β: 84.1365 ± 0.0012°
• γ: 62.9065 ± 0.0011°
• Cell volume: 1888 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No