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Information card for entry 1520331
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Coordinates | 1520331.cif |
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Formula | C36 H81 Gd N3 O12 P3 |
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Calculated formula | C36 H81 Gd N3 O12 P3 |
SMILES | [Gd]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 | C36H81GdN3O12P3 |
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 | 1237 |
a | 15.2683 ± 0.0004 Å |
b | 15.2683 ± 0.0004 Å |
c | 43.334 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10102.1 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
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. |
1520331.cif |
138326 | 2015-06-05 | cif/ Adding structures of 1520331 via cif-deposit CGI script. |
1520331.cif |
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Users of the data should acknowledge the original authors of the
structural data.