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Information card for entry 2220414
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2220414.cif |
---|---|
Structure factors | 2220414.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[(1,10-phenanthroline)cadmium(II)]-μ-2-(1,3-benzimidazol- 2-ylsulfanyl)acetato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^3^] |
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Formula | C21 H14 Cd N4 O2 S |
Calculated formula | C21 H14 Cd N4 O2 S |
SMILES | [Cd]12(n3c4ccccc4nc3SCC(=O)[O-])([n]3cccc4ccc5ccc[n]1c5c34)OC(=O)CSc1n([Cd]3[n]4cccc5ccc6ccc[n]3c6c45)c3ccccc3[n]21 |
Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline)cadmium(II)]-μ-2-(1,3-benzimidazol-2-ylsulfanyl)acetato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^3^] |
Authors of publication | Cheng, Lin; Sun, Yan-Yan; Zhang, Ya-Wen; Wang, Jian-Quan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 1 |
Pages of publication | m34 |
a | 9.2195 ± 0.001 Å |
b | 8.2577 ± 0.0009 Å |
c | 25.62 ± 0.003 Å |
α | 90° |
β | 103.215 ± 0.004° |
γ | 90° |
Cell volume | 1898.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/2220414.html
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