Information card for entry 7212412

Structure parameters

• Formula: C172 H56 Cl4 N8
• Calculated formula: C172.005 H56.0032 Cl4.0016 N8
• Title of publication: The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3542
• a: 16.919 ± 0.001 Å
• b: 17.141 ± 0.001 Å
• c: 18.257 ± 0.002 Å
• α: 90°
• β: 110.19 ± 0.01°
• γ: 90°
• Cell volume: 4969.3 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No