Information card for entry 7113143

Structure parameters

• Common name: (mu !3$-Nitrido)-eta $6!, eta$4!,eta$5!-C84 Fullerene)- trithulium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(ii) benzene disolvate
• Chemical name: (μ ~3~-Nitrido)-η ^6^, η^4^,η^5^-C84 Fullerene)-trithulium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate
• Formula: C132 H56 N5 Ni Tm3
• Calculated formula: C132 H56 N5 Ni Tm2.8
• Title of publication: New egg-shaped fullerenes: non-isolated pentagon structures of Tm3N@C(s)(51 365)-C84 and Gd3N@C(s)(51 365)-C84.
• Authors of publication: Zuo, Tianming; Walker, Kenneth; Olmstead, Marilyn M.; Melin, Frederic; Holloway, Brian C.; Echegoyen, Luis; Dorn, Harry C.; Chaur, Manuel N.; Chancellor, Christopher J.; Beavers, Christine M.; Balch, Alan L.; Athans, Andreas J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1067 - 1069
• a: 14.6305 ± 0.0007 Å
• b: 15.0074 ± 0.0007 Å
• c: 19.8162 ± 0.0009 Å
• α: 85.178 ± 0.002°
• β: 89.457 ± 0.002°
• γ: 62.276 ± 0.002°
• Cell volume: 3835.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No