Information card for entry 7042321

Structure parameters

• Formula: C131 H17.4 Cl5.4 I4 N4 S4.6
• Calculated formula: C131 H17.4 Cl5.4 I4 N4 S4.6
• Title of publication: Piperazine-functionalized C60 and diiodine or iodine monochloride as components in forming supramolecular assemblies.
• Authors of publication: Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3710 - 3715
• a: 18.352 ± 0.003 Å
• b: 31.141 ± 0.005 Å
• c: 14.417 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8239 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No