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Information card for entry 4501754
Preview
| Coordinates | 4501754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H25 Ce N9 O16 |
|---|---|
| Calculated formula | C29 H25 Ce N9 O16 |
| SMILES | C1(=O)c2cccc3[n]2[Ce]2456(O1)(OC(=O)c1cccc(C(=O)O5)[n]21)(OC(=O)c1cccc(C(=O)O6)[n]41)OC3=O.[nH+]1c(=O)[nH]ccc1N.[nH+]1c(=O)[nH]ccc1N.O.O |
| Title of publication | Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks |
| Authors of publication | Das, Babulal; Baruah, Jubaraj B. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 3242 |
| a | 15.9668 ± 0.0004 Å |
| b | 17.7252 ± 0.0004 Å |
| c | 11.5612 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3271.99 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4501754.cif |
| 268283 | 2021-08-30 | cif/4: Fixing Z values and formulae |
4501754.cif |
| 179548 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17. |
4501754.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501754.cif |
| 36086 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501754 via cif-deposit CGI script. |
4501754.cif |
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