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Information card for entry 4000890
Preview
| Coordinates | 4000890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H78 Cl2 Co7 N6 O26 |
|---|---|
| Calculated formula | C60 H78 Cl2 Co7 N6 O26 |
| SMILES | [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C[N]1=Cc2cccc3c2[O]2[Co]4561[O](C)c1c7[O]4[Co]489([O]6(C)[Co]6%10%11%12[O]5([Co]5%132([O]%12([Co]2%12%14([O]6([Co]6%15%16([O]%10([Co]%10%17([O]9%11C)([O]8c8c([O]4C)cccc8C=[N]%10C)[O](C)c4c([O]6%17)c(C=[N]%15C)ccc4)C)[O](C)c4c([O]2%16)c(C=[N]%12C)ccc4)C)[O]5c2c([O]%14C)cccc2C=[N]%13C)C)[O]3C)C)[N](=Cc7ccc1)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 | 14.2295 ± 0.0001 Å |
| b | 14.2295 ± 0.0001 Å |
| c | 23.5443 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4128.53 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1869 |
| Weighted residual factors for all reflections included in the refinement | 0.2074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
4000890.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000890.cif |
| 36549 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4000889, 4000890, 4000891 via cif-deposit CGI script. |
4000890.cif |
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Users of the data should acknowledge the original authors of the
structural data.