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Information card for entry 2233873
Preview
Coordinates | 2233873.cif |
---|---|
Structure factors | 2233873.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4- nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)] |
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Formula | C20 H22 Cd N8 O6 |
Calculated formula | C20 H22 Cd N8 O6 |
SMILES | [Cd]1([O]=CN(C)C)([O]=CN(C)C)[N]#CN(c2ccc(N(=O)=O)cc2)[Cd]([O]=CN(C)C)([O]=CN(C)C)([N]#CN1c1ccc(N(=O)=O)cc1)(N=C=Nc1ccc(N(=O)=O)cc1)N(c1ccc(N(=O)=O)cc1)C#N |
Title of publication | <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4-nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)] |
Authors of publication | Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m232 |
a | 5.607 ± 0.0011 Å |
b | 9.811 ± 0.002 Å |
c | 11.679 ± 0.002 Å |
α | 67.44 ± 0.03° |
β | 81.93 ± 0.03° |
γ | 84.28 ± 0.03° |
Cell volume | 586.7 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/2233873.html
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