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Information card for entry 7226642
Preview
| Coordinates | 7226642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H84 Co2 N10 O34 Tb4 |
|---|---|
| Calculated formula | C74 H84 Co2 N10 O34 Tb4 |
| SMILES | c12ccccc1[O]1[Co]3456[N](=C2)c2c(cccc2)C[O]24[Tb]4789%10([OH]%11[Tb]%12%13%14%15([O]=N(=O)O%12)([O]=C(O8)C)([O]9C(C)=[O]%10)[OH]8[Tb]9%10%12%16([O]%17%14Cc%14c([N]%18=Cc%19ccccc%19[O]%13[Co]%13%19%17%18[N](=Cc%17c([O]9%13)cccc%17)c9c(cccc9)C[O]%15%10%19)cccc%14)([O]=C(C)O[Tb]912%118([O]67Cc1c([N]3=Cc2c([O]54)cccc2)cccc1)(ON(=[O]9)=O)[O]%12C(C)=[O]%16)(ON(=O)=O)[O]=CN(C)C)(ON(=O)=O)[O]=CN(C)C.C(O)C.C(C)O |
| Title of publication | Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet |
| Authors of publication | Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8246 |
| a | 12.371 ± 0.002 Å |
| b | 19.544 ± 0.003 Å |
| c | 18.941 ± 0.003 Å |
| α | 90° |
| β | 103.988 ± 0.003° |
| γ | 90° |
| Cell volume | 4443.7 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226642.cif |
| 188105 | 2016-11-08 | cif/ Updating files of 7226639, 7226640, 7226641, 7226642 Original log message: Adding full bibliography for 7226639--7226642.cif. |
7226642.cif |
| 186774 | 2016-09-25 | cif/ Adding structures of 7226639, 7226640, 7226641, 7226642 via cif-deposit CGI script. |
7226642.cif |
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Users of the data should acknowledge the original authors of the
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