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Information card for entry 2233541
Preview
Coordinates | 2233541.cif |
---|---|
Structure factors | 2233541.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1- oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate |
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Formula | C32 H52 N8 Ni4 O14 |
Calculated formula | C32 H50 N8 Ni4 O14 |
SMILES | c1ccc2c3c1[O](C)[Ni]1456[O]3[Ni]37([O]=C(O4)C)([N](=C2)C(C)(C)CO3)[N](=N#N)[Ni]234([O](c8cccc9c8[O]2[Ni]2([N](=C9)C(C)(C)CO2)([N]1=N#N)([O]=C(O3)C)[O]64C)C)[O]57C.OC.OC |
Title of publication | Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1-oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate |
Authors of publication | Tan, Shan-Yong; Chang, Fei; Gao, Yan-Peng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 2 |
Pages of publication | m150 - m151 |
a | 9.5635 ± 0.0014 Å |
b | 11.8971 ± 0.0016 Å |
c | 18.845 ± 0.003 Å |
α | 90° |
β | 94.581 ± 0.002° |
γ | 90° |
Cell volume | 2137.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233541.html
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Users of the data should acknowledge the original authors of the
structural data.