Information card for entry 4114227

Structure parameters

• Formula: C28 H29 Cl O Ru
• Calculated formula: C56 H58 Cl2 O2 Ru2
• Title of publication: Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations
• Authors of publication: Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12143 - 12160
• a: 16.559 ± 0.002 Å
• b: 7.331 ± 0.0009 Å
• c: 38.161 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4632.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No