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Information card for entry 4350794
Preview
Coordinates | 4350794.cif |
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Original paper (by DOI) | HTML |
Formula | C30.5 H51 Cl2 N2 P2 Re |
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Calculated formula | C30.5 H51 Cl2 N2 P2 Re |
Title of publication | Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System. |
Authors of publication | Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L. |
Journal of publication | Inorganic chemistry |
Year of publication | 2021 |
Journal volume | 60 |
Journal issue | 9 |
Pages of publication | 6115 - 6124 |
a | 19.5539 ± 0.0004 Å |
b | 12.7308 ± 0.0002 Å |
c | 28.3182 ± 0.0007 Å |
α | 90° |
β | 108.978 ± 0.003° |
γ | 90° |
Cell volume | 6666.3 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.021 |
Residual factor for significantly intense reflections | 0.0208 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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264806 (current) | 2021-05-04 | cif/ Adding structures of 4350794, 4350795, 4350796 via cif-deposit CGI script. |
4350794.cif |
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Users of the data should acknowledge the original authors of the
structural data.