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Information card for entry 2232089
Preview
Coordinates | 2232089.cif |
---|---|
Structure factors | 2232089.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2- oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate |
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Formula | C32 H43 Br3 N4 Ni2 O10 |
Calculated formula | C32 H43 Br3 N4 Ni2 O10 |
SMILES | [Ni]1234([O](C(=O)C)[Ni]567([N](CC[N]58C([N]4(CC8)CC[N]3=Cc4cc(Br)ccc4O2)c2c([O]16)ccc(Br)c2)=Cc1cc(Br)ccc1O7)[OH]C)[OH2].O.OC.OC |
Title of publication | μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate |
Authors of publication | Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1381 - m1382 |
a | 14.7385 ± 0.0016 Å |
b | 18.552 ± 0.002 Å |
c | 14.2504 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3896.5 ± 0.7 Å3 |
Cell temperature | 168 ± 2 K |
Ambient diffraction temperature | 168 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/2232089.html
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