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Information card for entry 4511358
Preview
| Coordinates | 4511358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N4 O20 Zr |
|---|---|
| Calculated formula | C32 H32 N4 O20 Zr |
| SMILES | C1(O[Zr]234(OC1=O)(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)OC(=O)C(=O)O4)=O.c1cc(cc[nH+]1)/C=C/c1cc[nH+]cc1.O.O.O.c1cc(cc[nH+]1)/C=C/c1cc[nH+]cc1.O |
| Title of publication | Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures |
| Authors of publication | Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 1753 |
| a | 8.796 ± 0.005 Å |
| b | 10.674 ± 0.005 Å |
| c | 19.617 ± 0.008 Å |
| α | 90° |
| β | 101.95 ± 0.04° |
| γ | 90° |
| Cell volume | 1801.9 ± 1.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4511358.cif |
| 116945 | 2014-06-14 | cif/ Adding structures of 4511356, 4511357, 4511358, 4511359, 4511360, 4511361, 4511362, 4511363 via cif-deposit CGI script. |
4511358.cif |
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Users of the data should acknowledge the original authors of the
structural data.