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Information card for entry 7008794
Preview
| Coordinates | 7008794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H18 N8 O6 |
|---|---|
| Calculated formula | C12 H18 N8 O6 |
| SMILES | c1(nccc[nH+]1)NCCCCNc1nccc[nH+]1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study |
| Authors of publication | García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David |
| Journal of publication | Dalton Transactions |
| Year of publication | 2005 |
| Journal issue | 23 |
| Pages of publication | 3763 |
| a | 4.8927 ± 0.0007 Å |
| b | 7.4395 ± 0.0014 Å |
| c | 12.6052 ± 0.0015 Å |
| α | 107.169 ± 0.014° |
| β | 90.492 ± 0.011° |
| γ | 108.333 ± 0.014° |
| Cell volume | 413.51 ± 0.12 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008794.cif |
| 179791 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/87. |
7008794.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008794.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008794.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008794.cif |
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Users of the data should acknowledge the original authors of the
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