Information card for entry 7200304

Structure parameters

• Formula: C75 H27 I2 N6
• Calculated formula: C75 H27 I1.995 N6
• Title of publication: Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network
• Authors of publication: Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 811
• a: 13.3617 ± 0.0002 Å
• b: 13.3617 ± 0.0002 Å
• c: 15.8651 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2453 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No