Information card for entry 4315617

Structure parameters

• Common name: Ni(NapTMTAA).2benzene
• Formula: C42 H38 N4 Ni
• Calculated formula: C42 H38 N4 Ni
• Title of publication: New Tetraazaannulene Hosts for Fullerenes
• Authors of publication: Jimmy U. Franco; Justin C. Hammons; Daniel Rios; Marilyn M. Olmstead
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5120 - 5125
• a: 26.147 ± 0.0016 Å
• b: 21.2466 ± 0.0016 Å
• c: 23.8863 ± 0.0015 Å
• α: 90°
• β: 95.371 ± 0.003°
• γ: 90°
• Cell volume: 13211.4 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No