Information card for entry 2014462

Structure parameters

• Chemical name: 4,4'-Thiodipyridinium tetrachlorocopper(II)
• Formula: C10 H10 Cl4 Cu N2 S
• Calculated formula: C10 H10 Cl4 Cu N2 S
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].S(c1cc[nH+]cc1)c1cc[nH+]cc1
• Title of publication: 4,4'-Thiodipyridinium tetrachlorocopper(II)
• Authors of publication: Yi-Hang Wen; Jian-Kai Cheng; Jian Zhang; Zhao-Ji Li; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m618 - m619
• a: 8.2442 ± 0.0014 Å
• b: 9.4534 ± 0.0016 Å
• c: 9.5475 ± 0.0015 Å
• α: 92.594 ± 0.003°
• β: 94.243 ± 0.003°
• γ: 100.571 ± 0.003°
• Cell volume: 728.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes