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Information card for entry 4501612
Preview
| Coordinates | 4501612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Cu3 N2 O10 |
|---|---|
| Calculated formula | C12 H10 Cu3 N2 O10 |
| Title of publication | A Novel 3D Porous Cu(II)-Based Metal−Organic Framework Built from H4hbpdc Ligand: Synthesis, Structure, and Magnetic Characterization (H4hbpdc = 3,3′-Dihydroxy-2,2′-bipyridine-6,6′-dicarboxylic) |
| Authors of publication | Ji, Bao-Ming; Deng, Dong-Sheng; Lan, Hong-Hong; Du, Chen-Xia; Pan, Shi-Lie; Liu, Bin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 2851 |
| a | 16.892 ± 0.003 Å |
| b | 15.722 ± 0.002 Å |
| c | 5.8595 ± 0.0009 Å |
| α | 90° |
| β | 106.112 ± 0.002° |
| γ | 90° |
| Cell volume | 1495 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179547 (current) | 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 4/50/16. |
4501612.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501612.cif |
| 35989 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501612 via cif-deposit CGI script. |
4501612.cif |
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Users of the data should acknowledge the original authors of the
structural data.