Information card for entry 7014251

Structure parameters

• Common name: Complex 6
• Formula: C14 H12 Cu2 N8 O14 S2
• Calculated formula: C14 H12 Cu2 N8 O14 S2
• SMILES: [Cu]1([n]2c(sc3c2sc2[n]3[Cu]([n]3c2cccc3)(ON(=O)=O)(ON(=O)=O)[OH2])c2[n]1cccc2)(ON(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.
• Authors of publication: Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4124 - 4129
• a: 7.478 ± 0.002 Å
• b: 16.096 ± 0.005 Å
• c: 10.468 ± 0.003 Å
• α: 90°
• β: 98.084 ± 0.004°
• γ: 90°
• Cell volume: 1247.5 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No