Information card for entry 7113144

Structure parameters

• Common name: (mu !3$-Nitrido)-eta $6!, eta$4!,eta$5!-C84 Fullerene)- trigallium (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)-trigallium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate
• Formula: C132 H56 Gd3 N5 Ni
• Calculated formula: C132 H56 Gd3 N5 Ni
• 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: 14.6344 ± 0.0011 Å
• b: 15.0158 ± 0.0011 Å
• c: 19.7975 ± 0.0014 Å
• α: 85.319 ± 0.002°
• β: 89.353 ± 0.002°
• γ: 62.328 ± 0.002°
• Cell volume: 3838.2 ± 0.5 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: 0.1517
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No