Information card for entry 7004977

Structure parameters

• Formula: C48 H43 N18 O0.5 Ru2
• Calculated formula: C48 H42 N18 O0.5 Ru2
• SMILES: [Ru]1(C#N)(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.[Ru]123([n]4c([nH]cc4)c4[n]1cc[nH]4)([n]1ccccc1c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.N#CC.N#CC.N#CC.N#CC.O
• Title of publication: Hydrogen-bonded assemblies of ruthenium(II)-biimidazole complex cations and cyanometallate anions: structures and photophysics.
• Authors of publication: Derossi, Sofia; Adams, Harry; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 38.96 ± 0.008 Å
• b: 13.84 ± 0.003 Å
• c: 22.006 ± 0.004 Å
• α: 90°
• β: 117.77 ± 0.03°
• γ: 90°
• Cell volume: 10499 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No