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Information card for entry 7041041
Preview
Coordinates | 7041041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H54 N4 Ni4 O13 |
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Calculated formula | C56 H54 N4 Ni4 O13 |
SMILES | c12ccccc1[N]1[Ni]34([O]52[Ni]267([O]c8c(C=[N]2c2c(cccc2)[O]26[Ni]695([N](c5c(cccc5)[O]36[Ni]352([O]c2c(C=[N]3c3c(cccc3)[O]475)cccc2)[OH]C)=Cc2ccccc2O9)[OH]C)cccc8)[OH2])([O]c2c(C=1)cccc2)[OH]C.CO |
Title of publication | Solvent-induced structural diversity in tetranuclear Ni(ii) Schiff-base complexes: the first Ni4 single-molecule magnet with a defective dicubane-like topology. |
Authors of publication | Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 18622 - 18634 |
a | 10.4566 ± 0.0004 Å |
b | 10.8854 ± 0.0004 Å |
c | 23.552 ± 0.006 Å |
α | 77.019 ± 0.003° |
β | 78.705 ± 0.003° |
γ | 85.437 ± 0.003° |
Cell volume | 2559.9 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7041041.html
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Users of the data should acknowledge the original authors of the
structural data.