Information card for entry 7016981

Structure parameters

• Formula: C76 Cl33.25 O1.32 P1.32
• Calculated formula: C76 Cl33.252 O1.324 P1.324
• Title of publication: C(76) fullerene chlorides and cage transformations. Structural and theoretical study.
• Authors of publication: Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 11005 - 11011
• a: 23.631 ± 0.001 Å
• b: 27.894 ± 0.002 Å
• c: 11.534 ± 0.001 Å
• α: 90°
• β: 110.38 ± 0.01°
• γ: 90°
• Cell volume: 7126.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3342
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.2498
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No