Information card for entry 7229961

Structure parameters

• Common name: {(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2
• Formula: C80.5 H34 N4 O12 Rh3 S
• Calculated formula: C80.5 H34 N4 O12 Rh3 S
• Title of publication: The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers
• Authors of publication: Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 924
• a: 15.8849 ± 0.0008 Å
• b: 18.9471 ± 0.001 Å
• c: 19.6812 ± 0.0018 Å
• α: 90°
• β: 90.063 ± 0.002°
• γ: 90°
• Cell volume: 5923.5 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No