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Information card for entry 1520333
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Coordinates | 1520333.cif |
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Formula | C36 H81 N3 Nd O12 P3 |
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Calculated formula | C36 H81 N3 Nd O12 P3 |
SMILES | [Nd]123([O]=P(CC(C)C)(CC(C)C)CC(C)C)(ON(=[O]1)=O)([O]=N(=O)O2)([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)[O]=N(=O)O3 |
Title of publication | C36H81N3NdO12P3 |
Authors of publication | Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 1239 |
a | 14.3298 ± 0.0005 Å |
b | 14.476 ± 0.0005 Å |
c | 23.9774 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4973.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0798 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.1834 |
Weighted residual factors for all reflections included in the refinement | 0.1839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520333.cif |
138328 | 2015-06-05 | cif/ Adding structures of 1520333 via cif-deposit CGI script. |
1520333.cif |
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Users of the data should acknowledge the original authors of the
structural data.