Information card for entry 1559145

Structure parameters

• Common name: 4C70.4NiOEP.6(p-xylene)
• Formula: C472 H236 N16 Ni4
• Calculated formula: C472 H236 N16 Ni4
• Title of publication: Fullerene nanostructures: how the oblong shape of C₇₀ forms a cocrystal with an enormous asymmetric unit and related cocrystals.
• Authors of publication: Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 20356 - 20363
• a: 17.1062 ± 0.001 Å
• b: 25.99 ± 0.0015 Å
• c: 35.865 ± 0.002 Å
• α: 107.089 ± 0.0011°
• β: 90.3877 ± 0.0011°
• γ: 108.007 ± 0.001°
• Cell volume: 14411 ± 1.4 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 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: 0.1689
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.3195
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 2.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No