Information card for entry 7034038

Structure parameters

• Formula: C29 H33 Cl F6 N7 P Ru
• Calculated formula: C29 H33 Cl F6 N7 P Ru
• SMILES: [Ru]123(Cl)([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-]
• 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: 9.6006 ± 0.0016 Å
• b: 12.1733 ± 0.0019 Å
• c: 13.646 ± 0.002 Å
• α: 80.999 ± 0.005°
• β: 83.265 ± 0.005°
• γ: 83.885 ± 0.005°
• Cell volume: 1558 ± 0.4 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: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No