Information card for entry 2217064

Structure parameters

• Formula: C68 Cl16
• Calculated formula: C68 Cl16
• SMILES: c12c3c4c5c6c1c1c7c6c6c8c5c5c4c4c9c%10c%11c%12c(c39)c2c2c1c1c3c7c7c6c6c9c%13c%14c%15c%16c%17c%18c%14c(c%14c%18c(c%12c2c1%14)c%11c%17c1c%16c2c(c4c%101)c5c(c2c9%15)c86)c3c7%13.C(=C(Cl)Cl)(Cl)Cl.C(=C(Cl)Cl)(Cl)Cl.C(=C(Cl)Cl)(Cl)Cl.C(=C(Cl)Cl)(Cl)Cl
• Title of publication: C~60~ 1,1,2,2-tetrachloroethylene tetrasolvate
• Authors of publication: Arunkumar, C.; Bhyrappa, P.; Varghese, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o278
• a: 10.049 ± 0.005 Å
• b: 10.168 ± 0.005 Å
• c: 13.412 ± 0.005 Å
• α: 70.484 ± 0.005°
• β: 68.508 ± 0.005°
• γ: 79.834 ± 0.005°
• Cell volume: 1199.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2592
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes