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Information card for entry 4340497
Preview
Coordinates | 4340497.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H35 Cl2 N5 Ni O6 |
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Calculated formula | C19 H35 Cl2 N5 Ni O6 |
SMILES | [Ni]12(Cl)([OH2])([OH2])[n]3c(cccc3C3=[N]2C(C([N]3=O)(C)C)(C)C)C2=[N]1C(C([N]2=O)(C)C)(C)C.[Cl-].O.O |
Title of publication | Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides |
Authors of publication | Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Journal issue | 22 |
Pages of publication | 5518 - 5525 |
a | 6.5936 ± 0.0002 Å |
b | 13.2244 ± 0.0004 Å |
c | 16.2682 ± 0.0005 Å |
α | 108.163 ± 0.001° |
β | 100.676 ± 0.001° |
γ | 92.614 ± 0.001° |
Cell volume | 1316.38 ± 0.07 Å3 |
Cell temperature | 203.15 K |
Ambient diffraction temperature | 203.15 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 | 0.0539 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4320377 |
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/4340497.html
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