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Information card for entry 8102506
Preview
| Coordinates | 8102506.cif |
|---|---|
| External links | PubChem |
| Formula | C28 H34 N12 O5 Pb |
|---|---|
| Calculated formula | C28 H34 N12 O5 Pb |
| SMILES | [Pb]([OH2])([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)(N=C=NC#N)N=C=NC#N |
| Title of publication | Crystal structure of monoaqua-[2-(4-pyridyl)-4,4,5,5,-tetramethylimidazoline-1-oxyl-3-oxide]dicyanamidolead(II), Pb(H2O)(C12H16N3O2)2(C2N3)2 |
| Authors of publication | Yu-Fang Wang; Yong-Hua Zhang; Li-Ya Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 579 |
| a | 7.1782 ± 0.0005 Å |
| b | 13.6925 ± 0.001 Å |
| c | 17.5957 ± 0.0013 Å |
| α | 108.367 ± 0.001° |
| β | 93.901 ± 0.001° |
| γ | 101.398 ± 0.001° |
| Cell volume | 1593.1 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0178 |
| Residual factor for significantly intense reflections | 0.0165 |
| Weighted residual factors for significantly intense reflections | 0.0411 |
| Weighted residual factors for all reflections included in the refinement | 0.0416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102506.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102506.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102506.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102506.cif |
| 13245 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102506 via cif-deposit CGI script. |
8102506.cif |
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