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Information card for entry 2016959
Preview
Coordinates | 2016959.cif |
---|---|
Structure factors | 2016959.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-poly[[[diaquadipyridinecobalt(II)]-μ-tetrachloroterephthalato] 1,4-dioxane trihydrate] |
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Formula | C22 H28 Cl4 Co N2 O11 |
Calculated formula | C22 H28 Cl4 Co N2 O11 |
SMILES | [Co]([n]1ccccc1)([n]1ccccc1)([OH2])([OH2])(OC(=O)c1c(c(c(C(=O)[O-])c(c1Cl)Cl)Cl)Cl)OC(=O)c1c(c(c(C(=O)O[Co]([n]2ccccc2)([n]2ccccc2)([OH2])[OH2])c(c1Cl)Cl)Cl)Cl.C1COCCO1.O.O.O.C1COCCO1.O.O.O |
Title of publication | Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate |
Authors of publication | Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 2 |
Pages of publication | m86 - m90 |
a | 21.4257 ± 0.0019 Å |
b | 8.6567 ± 0.0008 Å |
c | 33.537 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6220.3 ± 1 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 54 |
Hermann-Mauguin space group symbol | P c c a |
Hall space group symbol | -P 2a 2ac |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2016959.html
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