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Information card for entry 4000891
Preview
| Coordinates | 4000891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H60 Cl2 Co7 N24 O20 |
|---|---|
| Calculated formula | C54 H60 Cl2 Co7 N24 O20 |
| SMILES | [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.N#N=N12[Co]3456[N](=Cc7c8[O]5[Co]59%10(N6(=N#N)[Co]6%11%122N2(=N#N)[Co]%13%141([O]4c1c([O]3C)cccc1C=[N]%13C)[O](C)c1c3[O]%14[Co]4%132(N6(=N#N)[Co]26%14(N%12(=N#N)[Co]%12%15(N5%11=N#N)([O]%10c5c([O]%15C)cccc5C=[N]9C)[O]%14c5c([O]6C)cccc5C=[N]%12C)[O]%13c5c([O]4C)cccc5C=[N]2C)[N](=Cc3ccc1)C)[O](c8ccc7)C)C |
| Title of publication | Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties |
| Authors of publication | Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2010 |
| Journal volume | 22 |
| Journal issue | 14 |
| Pages of publication | 4295 |
| a | 14.1074 ± 0.0008 Å |
| b | 14.1074 ± 0.0008 Å |
| c | 23.882 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4116.2 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2361 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000891.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000891.cif |
| 36549 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4000889, 4000890, 4000891 via cif-deposit CGI script. |
4000891.cif |
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Users of the data should acknowledge the original authors of the
structural data.