Information card for entry 2011288

Structure parameters

• Chemical name: Trans-dichloro (1, 5, 9, 13-tetramethyl-1, 5, 9, 13-tetrazacyclohexadecane) Ruthenium(III)triiodide
• Formula: C16 H36 Cl2 I3 N4 Ru
• Calculated formula: C16 H36 Cl2 I3 N4 Ru
• SMILES: C1CC[N]2(C)CCC[N]3([Ru]42([N]1(CCC[N]4(CCC3)C)C)(Cl)Cl)C.I[I-]I
• Title of publication: <i>trans</i>-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^<i>N</i>)ruthenium(III) triiodide
• Authors of publication: Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 941 - 942
• a: 7.7198 ± 0.0001 Å
• b: 20.4639 ± 0.0003 Å
• c: 15.9112 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2513.61 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes