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Information card for entry 7112973
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Coordinates | 7112973.cif |
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Original paper (by DOI) | HTML |
Common name | C86.Ni(OEP).2toluene 0.544Cs(16),0.456C2(17) |
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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 Å3 |
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 |
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