Information card for entry 7004907

Structure parameters

• Formula: C43 H80 Cl4 N6 P2 Ru2
• Calculated formula: C43 H80 Cl4 N6 P2 Ru2
• SMILES: [Ru]12(Cl)(Cl)([P](Cc3[n]1c(ccc3)C[N]2(CC)CC)(C(C)(C)C)C(C)(C)C)[N]#[N][Ru]12(Cl)(Cl)[P](Cc3[n]2c(C[N]1(CC)CC)ccc3)(C(C)(C)C)C(C)(C)C.C1CCCC1
• Title of publication: Electron-rich, bulky PNN-type ruthenium complexes: synthesis, characterization and catalysis of alcohol dehydrogenation.
• Authors of publication: Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 107 - 113
• a: 19.296 ± 0.004 Å
• b: 11.907 ± 0.002 Å
• c: 23.054 ± 0.005 Å
• α: 90°
• β: 94.87 ± 0.03°
• γ: 90°
• Cell volume: 5277.7 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No