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Information card for entry 2217690
Preview
Coordinates | 2217690.cif |
---|---|
Structure factors | 2217690.hkl |
Original IUCr paper | HTML |
Chemical name | [3-Hydroxy-N'-(2-oxidobenzylidene)-2-naphthohydrazidato- κ^3^O,N,O']tris(pyridine-κN)nickel(II) pyridine trisolvate |
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Formula | C48 H42 N8 Ni O3 |
Calculated formula | C48 H42 N8 Ni O3 |
SMILES | [Ni]12(OC(=N[N]2=Cc2c(O1)cccc2)c1cc2c(cc1O)cccc2)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1 |
Title of publication | [3-Hydroxy-<i>N</i>'-(2-oxidobenzylidene)-2-naphthohydrazidato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']tris(pyridine-κ<i>N</i>)nickel(II) pyridine trisolvate |
Authors of publication | Shi-Zhu Sun; Wen-Jun Kang; Da-Cheng Li; Da-Qi Wang; Jian-Min Dou |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 2 |
Pages of publication | m438 - m438 |
a | 18.37 ± 0.002 Å |
b | 27.72 ± 0.003 Å |
c | 16.862 ± 0.002 Å |
α | 90° |
β | 90.378 ± 0.002° |
γ | 90° |
Cell volume | 8586.2 ± 1.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1999 |
Residual factor for significantly intense reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.2276 |
Weighted residual factors for all reflections included in the refinement | 0.3209 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/2217690.html
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