Information card for entry 7232189

Structure parameters

• Formula: C61 H Br Cl2
• Calculated formula: C61 H Br Cl2
• Title of publication: Ordered and disordered solvates of C60 and CBrCl2H
• Authors of publication: Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1180
• a: 10.14 ± 0.003 Å
• b: 31.233 ± 0.009 Å
• c: 10.122 ± 0.003 Å
• α: 90°
• β: 90.21 ± 0.02°
• γ: 90°
• Cell volume: 3205.6 ± 1.6 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No