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Information card for entry 1520083
Preview
| Coordinates | 1520083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H74 Co Dy3 N9 O25 |
|---|---|
| Calculated formula | C54 H74 Co Dy3 N9 O25 |
| SMILES | [Dy]123456([O]7([Dy]89%10([O](C)c%11cccc%12c%11[O]8[Co]8%11%137[O]7[Dy]%14([O]=C%15N(N(C(=C%15[N]%11=C%12)C)C)c%11ccccc%11)([O]1C)([O]=C(O2)C(C)(C)C)([O]=N(=O)O%14)([O](C)c1cccc(c71)C=[N]%13C1=C(N(N(C1=[O]9)c1ccccc1)C)C)[O]38C)([O]4C)([O]=C(O5)C(C)(C)C)[O]=N(=O)O%10)C)[O]=N(O6)=O.OC.OC |
| Title of publication | A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies. |
| Authors of publication | Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 28 |
| Pages of publication | 12788 - 12795 |
| a | 17.0866 ± 0.0007 Å |
| b | 19.9394 ± 0.0007 Å |
| c | 20.2635 ± 0.0009 Å |
| α | 90° |
| β | 109.693 ± 0.005° |
| γ | 90° |
| Cell volume | 6499.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143681 (current) | 2015-07-11 | cif/ Updating files of 1520082, 1520083, 1520084, 1520085, 1520086, 1520087 Original log message: Adding full bibliography for 1520082--1520087.cif. |
1520083.cif |
| 137518 | 2015-05-29 | cif/ Adding structures of 1520082, 1520083, 1520084, 1520085, 1520086, 1520087 via cif-deposit CGI script. |
1520083.cif |
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Users of the data should acknowledge the original authors of the
structural data.