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Information card for entry 1520082
Preview
| Coordinates | 1520082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61.5 H86 Co2 Dy2 N8 O24 |
|---|---|
| Calculated formula | C61.5 H86 Co2 Dy2 N8 O24 |
| SMILES | [Dy]1234567([O]=C8N(N(C(=C8[N]8[Co]9%10%11([O]%12[Dy]%13%14%15%16([O](C)c%17cccc(c%12%17)C=8)([O]=C([O]%13[Co]8([O]19C)([O]3c1c([O]2C)cccc1C=[N]8C1=C(N(N(c2ccccc2)C1=[O]%14)C)C)(OC(=[O]4)C(C)(C)C)[O]%11%15C)C(C)(C)C)([O]=C(O%10)C(C)(C)C)ON(=[O]%16)=O)[O]6C(=[O]5)C(C)(C)C)C)C)c1ccccc1)[O]=N(=O)O7.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 | 14.068 ± 0.0002 Å |
| b | 21.394 ± 0.0003 Å |
| c | 26.2804 ± 0.0004 Å |
| α | 67.4228 ± 0.0015° |
| β | 86.9557 ± 0.0013° |
| γ | 89.2403 ± 0.0012° |
| Cell volume | 7292.9 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1027 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for significantly intense reflections | 0.1858 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217633 (current) | 2019-08-21 | cif/1: Fixing Z values and formulae |
1520082.cif |
| 143681 | 2015-07-11 | cif/ Updating files of 1520082, 1520083, 1520084, 1520085, 1520086, 1520087 Original log message: Adding full bibliography for 1520082--1520087.cif. |
1520082.cif |
| 137518 | 2015-05-29 | cif/ Adding structures of 1520082, 1520083, 1520084, 1520085, 1520086, 1520087 via cif-deposit CGI script. |
1520082.cif |
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Users of the data should acknowledge the original authors of the
structural data.