Information card for entry 7034039

Structure parameters

• Formula: C42 H60 F12 N10 O P2 Ru
• Calculated formula: C42 H60 F12 N10 O P2 Ru
• SMILES: [Ru]1234([n]5c(N6C=1N(C=C6)C(C)(C)C)cccc5N1C=2N(C=C1)C(C)(C)C)[n]1c(N2C=3N(C=C2)C(C)(C)C)cccc1N1C=4N(C=C1)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[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: 12.6737 ± 0.0016 Å
• b: 19.858 ± 0.003 Å
• c: 20.062 ± 0.003 Å
• α: 83.598 ± 0.005°
• β: 80.72 ± 0.004°
• γ: 81.683 ± 0.004°
• Cell volume: 4910.5 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No