Information card for entry 4081174

Structure parameters

• Formula: C19 H24 N2 Ru
• Calculated formula: C19 H24 N2 Ru
• SMILES: [Ru]123456789([c]%10([c]5([cH]4[cH]3[cH]2[c]1%10C)C)[N-]C#N)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• Title of publication: A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group
• Authors of publication: Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4050
• a: 7.665 ± 0.002 Å
• b: 15.556 ± 0.004 Å
• c: 14.245 ± 0.004 Å
• α: 90°
• β: 99.36 ± 0.004°
• γ: 90°
• Cell volume: 1675.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No