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Information card for entry 4511268
Preview
| Coordinates | 4511268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 Ag2 N12 O6 |
|---|---|
| Calculated formula | C32 H38 Ag2 N12 O6 |
| SMILES | c1(cc(C)[n]2n1C1c3cc[n]([Ag]4([n]5c(cc(C)n5C(n5c(cc(C)[n]45)C)c4cc[n]([Ag]2(ON(=O)=O)[n]2c(cc(n12)C)C)cc4)C)ON(=O)=O)cc3)C |
| Title of publication | Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution |
| Authors of publication | Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3510 |
| a | 8.8841 ± 0.0001 Å |
| b | 18.3185 ± 0.0002 Å |
| c | 12.7543 ± 0.0002 Å |
| α | 90° |
| β | 99.527 ± 0.001° |
| γ | 90° |
| Cell volume | 2047.05 ± 0.05 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0802 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179659 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12. |
4511268.cif |
| 119049 | 2014-07-05 | cif/ Updating files of 4511266, 4511267, 4511268, 4511269, 4511270, 4511271, 4511272, 4511273, 4511274 Original log message: Adding full bibliography for 4511266--4511274.cif. |
4511268.cif |
| 115953 | 2014-06-06 | cif/ Adding structures of 4511266, 4511267, 4511268, 4511269, 4511270, 4511271, 4511272, 4511273, 4511274 via cif-deposit CGI script. |
4511268.cif |
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Users of the data should acknowledge the original authors of the
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