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Information card for entry 2222281
Preview
Coordinates | 2222281.cif |
---|---|
Structure factors | 2222281.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ~2~-<i>N</i>'-acetyl-2-hydroxy-6- oxidobenzohydrazidato(3-)]octapyridinetrinickel(II) |
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Formula | C58 H54 N12 Ni3 O8 |
Calculated formula | C58 H54 N12 Ni3 O8 |
SMILES | [n]1(ccccc1)[Ni]12([N]3=C(C)O[Ni]4([N]3=C(c3c(cccc3O)O4)O1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([N]1=C(C)O[Ni]3([N]1=C(c1c(cccc1O)O3)O2)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)[n]1ccccc1 |
Title of publication | Bis[μ~2~-<i>N</i>'-acetyl-2-hydroxy-6-oxidobenzohydrazidato(3{-})]octapyridinetrinickel(II) |
Authors of publication | Yang, Yan; Li, Dacheng; Shi, Xuefeng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m746 |
a | 9.9349 ± 0.0018 Å |
b | 18.23 ± 0.003 Å |
c | 16.262 ± 0.002 Å |
α | 90° |
β | 96.663 ± 0.002° |
γ | 90° |
Cell volume | 2925.4 ± 0.8 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1203 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.1814 |
Weighted residual factors for all reflections included in the refinement | 0.21 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
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/2222281.html
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