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Information card for entry 2234840
Preview
Coordinates | 2234840.cif |
---|---|
Structure factors | 2234840.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-<i>N</i>'-(adamantan-1-ylcarbonyl)-2- oxidobenzohydrazidato(3-)]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate |
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Formula | C59 H67 N9 Ni3 O8 |
Calculated formula | C59 H67 N9 Ni3 O8 |
SMILES | C12(CC3CC(C1)CC(C3)C2)C1=[N]2[N]3[Ni]([n]4ccccc4)(O1)Oc1c(C=3O[Ni]32([N]2=C(C45CC6CC(CC(C4)C6)C5)O[Ni]4(Oc5c(C(=[N]24)O3)cccc5)[n]2ccccc2)([n]2ccccc2)[n]2ccccc2)cccc1.C(=O)N(C)C.O |
Title of publication | Bis[μ-<i>N</i>'-(adamantan-1-ylcarbonyl)-2-oxidobenzohydrazidato(3{-})]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate |
Authors of publication | Wei, Han-Chang; Huang, Wan-Yun; Zhou, Xiang; Shi, Meng; Liang, Fu-Pei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m619 - m620 |
a | 14.3496 ± 0.0008 Å |
b | 14.8499 ± 0.0009 Å |
c | 15.2256 ± 0.0009 Å |
α | 62.061 ± 0.001° |
β | 72.261 ± 0.001° |
γ | 85.202 ± 0.001° |
Cell volume | 2723.3 ± 0.3 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 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 | 0.0458 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/2234840.html
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Users of the data should acknowledge the original authors of the
structural data.