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Information card for entry 2014714
Preview
Coordinates | 2014714.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | di-μ-sulfito-κ^3^O,O':O'';κ^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc(II)] dihydrate |
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Formula | C24 H28 N4 O8 S2 Zn2 |
Calculated formula | C24 H28 N4 O8 S2 Zn2 |
SMILES | c1cc(cc2[n]1[Zn]13([n]4c2cc(cc4)C)[O]=S(O[Zn]24([n]5ccc(cc5c5cc(cc[n]25)C)C)[O]=S(O3)O4)O1)C.O.O |
Title of publication | Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito] |
Authors of publication | M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 1 |
Pages of publication | m30 - m33 |
a | 7.534 ± 0.004 Å |
b | 9.621 ± 0.005 Å |
c | 11.051 ± 0.005 Å |
α | 113.233 ± 0.008° |
β | 96.932 ± 0.009° |
γ | 106.746 ± 0.009° |
Cell volume | 679.4 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.072 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.1765 |
Weighted residual factors for all reflections included in the refinement | 0.182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.7107 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/2014714.html
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Users of the data should acknowledge the original authors of the
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