Information card for entry 4077048

Structure parameters

• Formula: C50 H40 P2 Ru
• Calculated formula: C50 H40 P2 Ru
• SMILES: [Ru]12345([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(/C(=C/c1ccccc1)C#Cc1ccccc1)[cH]1[cH]2[c]23cccc[c]42[cH]51
• Title of publication: Synthesis and Properties of the Indenyl Ruthenium(II) Complex [Ru{(E)-η1-C(C⋮CPh)CHPh}(η5-C9H7)(κ2-P-dppm)] (dppm = bis(diphenylphosphino)methane). An Organometallic Intermediate in the Catalytic Dimerization of Phenylacetylene
• Authors of publication: Bassetti, Mauro; Marini, Silvia; Díaz, Josefina; Gamasa, M. Pilar; Gimeno, José; Rodríguez-Álvarez, Yolanda; García-Granda, Santiago
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4815
• a: 13.255 ± 0.005 Å
• b: 17.082 ± 0.01 Å
• c: 17.651 ± 0.006 Å
• α: 90°
• β: 96.98 ± 0.03°
• γ: 90°
• Cell volume: 3967 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.3175
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No