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Information card for entry 7223510
Preview
Coordinates | 7223510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H58 Dy2 N4 Ni2 O18 |
---|---|
Calculated formula | C62 H58 Dy2 N4 Ni2 O18 |
SMILES | C[O]1c2cccc3c2[O]2[Dy]45671([N](=Cc1cccc(OC)c1O5)c1ccccc1[O]16[Ni]562([O]28c9c([N]%10=Cc%11cccc(OC)c%11O[Dy]%11%122%10([O](C)c2cccc%10c2[O]%11[Ni]218([N](=C%10)c1ccccc1[O]42)[O]=C(O%12)C)([O]6c1c([N]5=C3)cccc1)[OH]C)cccc9)[O]=C(O7)C)[OH]C |
Title of publication | Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects |
Authors of publication | Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 5 |
Pages of publication | 704 |
a | 10.4776 ± 0.0004 Å |
b | 21.3408 ± 0.0008 Å |
c | 14.3681 ± 0.0005 Å |
α | 90° |
β | 106.977 ± 0.004° |
γ | 90° |
Cell volume | 3072.7 ± 0.2 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0899 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1672 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7223510.html
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Users of the data should acknowledge the original authors of the
structural data.