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Information card for entry 1556457
Preview
| Coordinates | 1556457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C164 H169 Er N6 P6 |
|---|---|
| Calculated formula | C164 H169 Er N6 P6 |
| SMILES | [Er]1234(C(P(c5ccccc5)(c5ccccc5)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(P(c1ccccc1)(c1ccccc1)=[N]3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C.C(=P(c1ccccc1)(c1ccccc1)[N-]c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=Nc1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides |
| Authors of publication | Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T. |
| Journal of publication | Inorganics |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 46 - 69 |
| a | 16.895 ± 0.003 Å |
| b | 19.82 ± 0.004 Å |
| c | 21.149 ± 0.004 Å |
| α | 76.79 ± 0.03° |
| β | 78.76 ± 0.03° |
| γ | 83.9 ± 0.03° |
| Cell volume | 6748 ± 2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556457.cif |
| 244949 | 2019-12-09 | cif/ Adding structures of 1556450, 1556451, 1556452, 1556453, 1556454, 1556455, 1556456, 1556457, 1556458, 1556459, 1556460, 1556461, 1556462, 1556463 via cif-deposit CGI script. |
1556457.cif |
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Users of the data should acknowledge the original authors of the
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