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Information card for entry 1514577
Preview
Coordinates | 1514577.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H40 P4 Se8 U |
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Calculated formula | C48 H40 P4 Se8 U |
SMILES | [U]1234([Se]=P([Se]1)(c1ccccc1)c1ccccc1)([Se]=P([Se]2)(c1ccccc1)c1ccccc1)([Se]=P([Se]3)(c1ccccc1)c1ccccc1)[Se]=P([Se]4)(c1ccccc1)c1ccccc1 |
Title of publication | Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand |
Authors of publication | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. |
Journal of publication | Chemical Science |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 3 |
Pages of publication | 1189 |
a | 13.8131 ± 0.0006 Å |
b | 9.7933 ± 0.0005 Å |
c | 18.8547 ± 0.0009 Å |
α | 90° |
β | 91.597 ± 0.001° |
γ | 90° |
Cell volume | 2549.6 ± 0.2 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0463 |
Weighted residual factors for all reflections included in the refinement | 0.0474 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.659 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1514577.html
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