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Information card for entry 4348218
Preview
Coordinates | 4348218.cif |
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Original paper (by DOI) | HTML |
Formula | C117 H112 Cl2 N8 Ni5 O20 |
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Calculated formula | C117 H112 Cl2 N8 Ni5 O20 |
Title of publication | A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation |
Authors of publication | Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S. |
Journal of publication | Inorg. Chem. Front. |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 6 |
Pages of publication | 487 |
a | 12.8976 ± 0.0006 Å |
b | 13.0924 ± 0.0006 Å |
c | 16.4651 ± 0.0006 Å |
α | 98.686 ± 0.003° |
β | 99.661 ± 0.003° |
γ | 90.904 ± 0.003° |
Cell volume | 2707 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for all reflections | 0.2087 |
Weighted residual factors for significantly intense reflections | 0.1827 |
Weighted residual factors for all reflections included in the refinement | 0.2087 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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232832 (current) | 2019-11-23 | cif/ Adding structures of 4348215, 4348216, 4348217, 4348218 via cif-deposit CGI script. |
4348218.cif |
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Users of the data should acknowledge the original authors of the
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