Information card for entry 7034041

Structure parameters

• Formula: C35 H36 F6 N7 O4 P Ru
• Calculated formula: C35 H36 F6 N7 O4 P Ru
• SMILES: [Ru]123(OC(=O)OC)([n]4c(N5C=2N(C=C5)C(C)(C)C)cccc4N2C=3N(C=C2)C(C)(C)C)[n]2c(cccc2)c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.
• Authors of publication: Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5303 - 5305
• a: 14.47 ± 0.003 Å
• b: 16.057 ± 0.003 Å
• c: 16.622 ± 0.003 Å
• α: 90°
• β: 97.887 ± 0.003°
• γ: 90°
• Cell volume: 3825.5 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No