Information card for entry 7112973

Structure parameters

• Common name: C86.Ni(OEP).2toluene 0.544Cs(16),0.456C2(17)
• Formula: C136 H60 N4 Ni
• Calculated formula: C132 H57 N4 Ni
• Title of publication: Structural similarities in C(s)(16)-C86 and C(2)(17)-C86.
• Authors of publication: Wang, Zhimin; Yang, Hua; Jiang, An; Liu, Ziyang; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5262 - 5264
• a: 25.3309 ± 0.0012 Å
• b: 15.0563 ± 0.0007 Å
• c: 20.6142 ± 0.001 Å
• α: 90°
• β: 96.84 ± 0.002°
• γ: 90°
• Cell volume: 7806.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No