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Information card for entry 2216177
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2216177.cif |
---|---|
Structure factors | 2216177.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato- κ^4^N,N',O:O)bis[(acetato-κ^2^O,O')cadmium(II)] monohydrate |
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Formula | C28 H42 Cd2 N4 O7 |
Calculated formula | C28 H42 Cd2 N4 O7 |
SMILES | c12c(cccc1)[O]1[Cd]34([N](=C2)CCC[N]3(C)C)([O]=C(O4)C)[O]2c3c(cccc3)C=[N]3CCC[N](C)(C)[Cd]4123[O]=C(O4)C.O |
Title of publication | Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>)bis[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] monohydrate |
Authors of publication | Wen-Xuan Cai; Xiao-Yong Zheng; Hong Su; Yun-Long Feng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 11 |
Pages of publication | m2828 - m2829 |
a | 17.543 ± 0.003 Å |
b | 17.543 ± 0.003 Å |
c | 10.42 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3206.8 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 117 |
Hermann-Mauguin space group symbol | P -4 b 2 |
Hall space group symbol | P -4 -2ab |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/2216177.html
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