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Information card for entry 2212144
Preview
Coordinates | 2212144.cif |
---|---|
Structure factors | 2212144.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-chloro-bis({2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^3^N,O,O'}nickel(II)) methanol solvate |
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Formula | C19 H24 Cl2 N2 Ni2 O5 |
Calculated formula | C19 H24 Cl2 N2 Ni2 O5 |
SMILES | c12ccccc1C=[N]1CC[OH][Ni@]1(O2)[Cl][Ni]12([N](=Cc3c(O1)cccc3)CC[OH]2)Cl.CO |
Title of publication | Di-μ-chloro-bis({2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'}nickel(II)) methanol solvate |
Authors of publication | Van Hecke, Kristof; Nockemann, Peter; Binnemans, Koen; Van Meervelt, Luc |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m569 - m571 |
a | 9.6183 ± 0.0004 Å |
b | 11.7082 ± 0.0005 Å |
c | 19.6458 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2212.37 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2212144.html
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