Information card for entry 4305799

Structure parameters

• Formula: C18 H40 N6 O2 Ru
• Calculated formula: C18 H36 N6 O2 Ru
• SMILES: C1CC[N]2(CCC[N]3(CCC[N]4(CCC[N]1(C)[Ru]234(C#N)C#N)C)C)C.O.O
• Title of publication: Spectroscopic Studies and Structures of trans-Ruthenium(II) and Ruthenium(III) Bis(cyanide) Complexes Supported by a Tetradentate Macrocyclic Tertiary Amine Ligand
• Authors of publication: Chun-Yuen Wong; Fu-Wa Lee; Chi-Ming Che; Yung Fong Cheng; David Lee Phillips; Nianyong Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10308 - 10316
• a: 13.23 ± 0.002 Å
• b: 14.983 ± 0.002 Å
• c: 10.712 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123.4 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No