Information card for entry 7113170

Structure parameters

• Formula: C16 H22 Cl2 N2 Ru
• Calculated formula: C16 H22 Cl2 N2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6ccc(cc6N)C)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Anion binding in (arene)ruthenium(II)-based hosts
• Authors of publication: Dickson, Sara Jane; Biagini, Stefano C. G.; Steed, Jonathan W.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 4955 - 4957
• a: 9.2102 ± 0.0003 Å
• b: 7.9958 ± 0.0003 Å
• c: 22.4459 ± 0.0008 Å
• α: 90°
• β: 98.992 ± 0.002°
• γ: 90°
• Cell volume: 1632.67 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102319
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No