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Information card for entry 2015341
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Coordinates | 2015341.cif |
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Original IUCr paper | HTML |
Common name | [CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~] |
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Chemical name | Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)] |
Formula | C6 H12 Ca O12 Zn |
Calculated formula | C6 H12 Ca O12 Zn |
SMILES | C1(CC(=O)O[Zn]2([OH2])(O1)(OC(=O)CC(=O)O2)[OH2])=O.[Ca+2].O.O |
Title of publication | Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)] |
Authors of publication | Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m258 - m260 |
a | 13.9736 ± 0.0017 Å |
b | 7.5445 ± 0.0009 Å |
c | 13.1729 ± 0.0015 Å |
α | 90° |
β | 119.788 ± 0.002° |
γ | 90° |
Cell volume | 1205.2 ± 0.2 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0238 |
Residual factor for significantly intense reflections | 0.0224 |
Weighted residual factors for significantly intense reflections | 0.0589 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015341.html
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