Information card for entry 4069379

Structure parameters

• Formula: C52 H73 F24 N15 P4 Ru2
• Calculated formula: C52 H73 F24 N15 P4 Ru2
• SMILES: CC#N.[Ru]123([n]4c5c6[n]1cccc6ccc5ccc4)([N]#CC)[N]1(CC[N]3(CC[N]2(C)CC1)C)C.[P](F)(F)(F)(F)(F)[F-].CC#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium(II) Isocyanide Complexes Supported by Triazacyclononane/Trithiacyclononane and Aromatic Diimine: Structural, Spectroscopic, and Theoretical Studies
• Authors of publication: Wong, Chun-Yuen; Lai, Lo-Ming; Leung, Hung-Fan; Wong, Sze-Ho
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3537
• a: 12.0416 ± 0.0005 Å
• b: 15.8303 ± 0.0006 Å
• c: 18.8685 ± 0.0007 Å
• α: 85.705 ± 0.003°
• β: 78.584 ± 0.003°
• γ: 85.926 ± 0.003°
• Cell volume: 3509.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No