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Information card for entry 2204503
Preview
Coordinates | 2204503.cif |
---|---|
Structure factors | 2204503.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(1,10-phenanthroline-κ^2^N,N')zinc(II) bis(perchlorate) ethanol solvate monohydrate |
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Formula | C38 H32 Cl2 N6 O10 Zn |
Calculated formula | C38 H32 Cl2 N6 O10 Zn |
SMILES | [Zn]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.OCC |
Title of publication | Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(perchlorate) ethanol solvate monohydrate |
Authors of publication | Wei, Yibin; Yuan, Caixia; Yang, Pin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | m1686 - m1688 |
a | 11.313 ± 0.002 Å |
b | 12.907 ± 0.003 Å |
c | 14.483 ± 0.003 Å |
α | 83.049 ± 0.003° |
β | 76.301 ± 0.003° |
γ | 68.085 ± 0.003° |
Cell volume | 1904.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1459 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Weighted residual factors for all reflections included in the refinement | 0.1684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/2204503.html
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