Information card for entry 7014250

Structure parameters

• Common name: Compound 5
• Formula: C14 H8 N4 S2
• Calculated formula: C14 H8 N4 S2
• SMILES: s1c(nc2c1nc(s2)c1ccccn1)c1ccccn1
• 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: 5.7522 ± 0.0007 Å
• b: 6.2611 ± 0.0007 Å
• c: 17.442 ± 0.002 Å
• α: 90°
• β: 94.017 ± 0.002°
• γ: 90°
• Cell volume: 626.63 ± 0.13 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No