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Information card for entry 4130135
Preview
Coordinates | 4130135.cif |
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Original paper (by DOI) | HTML |
Formula | C626.14 H574.08 Cl6 N18.73 Ni40 O115.47 S40 |
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Calculated formula | C626.146 H574.084 Cl6 N18.7282 Ni40 O115.477 S40 |
Title of publication | Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron. |
Authors of publication | Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 9 |
Pages of publication | 2969 - 2972 |
a | 36.664 ± 0.007 Å |
b | 34.101 ± 0.006 Å |
c | 46.617 ± 0.008 Å |
α | 90° |
β | 92.414 ± 0.002° |
γ | 90° |
Cell volume | 58233 ± 18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1141 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1938 |
Weighted residual factors for all reflections included in the refinement | 0.2156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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