Information card for entry 4069380

Structure parameters

• Formula: C24 H38 F12 N6 P2 Ru
• Calculated formula: C24 H38 F12 N6 P2 Ru
• SMILES: C[N]12CC[N]3(C)CC[N](C)(CC1)[Ru]123(C#[N]C(C)(C)C)[n]2ccccc2c2cccc[n]12.[P](F)(F)(F)(F)(F)[F-].[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: 11.6445 ± 0.0001 Å
• b: 21.8319 ± 0.0002 Å
• c: 24.5405 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6238.72 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No