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Information card for entry 7201206
Preview
Coordinates | 7201206.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H64 Cu2 Dy2 N14 O32 |
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Calculated formula | C46 H64 Cu2 Dy2 N14 O32 |
SMILES | [Dy]1234567([O](C)c8cccc9c8[O]1[Cu]18([O]%10N(=[O][Dy]%11%12%13%14%15%10([O](C)c%10cccc%16c%10[O]%11[Cu]%10%11([N](=C%16)CC)[NH]([C@@H](c%16cccc([O]%12C)c%16[O]%13%10)C=N(=[O]4)[O]5%11)CC)([O]=N(=O)O%14)[O]=N(=O)O%15)=C[C@H]9[NH]1CC)[N](=Cc1cccc(c1[O]38)[O]2C)CC)([O]=N(=O)O6)[O]=N(=O)O7.N(=O)(=O)C.O=N(=O)C.N(=O)(=O)C.N(=O)(=O)C.[Dy]1234567([O](C)c8cccc9c8[O]1[Cu]18([O]%10N(=[O][Dy]%11%12%13%14%15%10([O](C)c%10cccc%16c%10[O]%11[Cu]%10%11([N](=C%16)CC)[NH]([C@H](c%16cccc([O]%12C)c%16[O]%13%10)C=N(=[O]4)[O]5%11)CC)([O]=N(=O)O%14)[O]=N(=O)O%15)=C[C@@H]9[NH]1CC)[N](=Cc1cccc(c1[O]38)[O]2C)CC)([O]=N(=O)O6)[O]=N(=O)O7.N(=O)(=O)C.O=N(=O)C.N(=O)(=O)C.N(=O)(=O)C |
Title of publication | Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets |
Authors of publication | Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 2110 |
a | 14.4409 ± 0.0015 Å |
b | 18.0725 ± 0.0019 Å |
c | 23.928 ± 0.002 Å |
α | 90° |
β | 99.705 ± 0.002° |
γ | 90° |
Cell volume | 6155.4 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections included in the refinement | 0.0592 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
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/7201206.html
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Users of the data should acknowledge the original authors of the
structural data.