Information card for entry 4084833

Structure parameters

• Formula: C64 H43 B Cl2 F24 N5 P Ru
• Calculated formula: C64 H43 B Cl2 F24 N5 P Ru
• Title of publication: Metal-Templated Hydrogen Bond Donors as “Organocatalysts” for Carbon‒Carbon Bond Forming Reactions: Syntheses, Structures, and Reactivities of 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes
• Authors of publication: Scherer, Alexander; Mukherjee, Tathagata; Hampel, Frank; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6709
• a: 12.7544 ± 0.0003 Å
• b: 13.9582 ± 0.0003 Å
• c: 19.9118 ± 0.0005 Å
• α: 108.991 ± 0.001°
• β: 100.507 ± 0.001°
• γ: 95.258 ± 0.001°
• Cell volume: 3251.97 ± 0.13 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No