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Information card for entry 7221719
Preview
Coordinates | 7221719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H76 Co4 N12 O20 |
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Calculated formula | C76 H76 Co4 N12 O20 |
SMILES | COc1cccc2=C[N]3[Co]45(Oc12)([O]1(CC2=C3C(=O)N(N2C)c2ccccc2)[Co]236([N](=Cc7cccc(c7O2)OC)C2C(=O)N(N(C=2C[O]43[Co]234(Oc7c(cccc7C=[N]2C2C(=O)N(N(C=2C[O]53[Co]231(Oc1c(cccc1C=[N]2C1C(=O)N(N(C=1C[O]643)C)c1ccccc1)OC)[OH2])C)c1ccccc1)OC)[OH2])C)c1ccccc1)[OH2])[OH2] |
Title of publication | Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects |
Authors of publication | Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E. |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 35 |
Pages of publication | 6753 |
a | 15.0627 ± 0.0005 Å |
b | 15.0627 ± 0.0005 Å |
c | 33.6307 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7630.3 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1378 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7221719.html
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