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Information card for entry 7114009
Preview
Coordinates | 7114009.cif |
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Original paper (by DOI) | HTML |
Common name | Kr@C60.Ni(OEP).2benzene |
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Formula | C108 H56 Kr0.09 N4 Ni |
Calculated formula | C108 H56 Kr0.0851 N4 Ni |
Title of publication | Crystallographic characterization of Kr@C60 in (0.09Kr@C60/0.91C60)·{NiII(OEP)}·2C6H6 |
Authors of publication | Lee, Hon Man; Olmstead, Marilyn M.; Suetsuna, Tomohiro; Shimotani, Hidekazu; Dragoe, Nita; Cross, R. James; Kitazawa, Koichi; Balch, Alan L. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 13 |
Pages of publication | 1352 |
a | 14.12 ± 0.002 Å |
b | 14.373 ± 0.002 Å |
c | 17.212 ± 0.003 Å |
α | 87.608 ± 0.004° |
β | 75.795 ± 0.007° |
γ | 75.628 ± 0.007° |
Cell volume | 3279.7 ± 0.9 Å3 |
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 | 0.075 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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