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Information card for entry 2231181
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Coordinates | 2231181.cif |
---|---|
Structure factors | 2231181.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido- [bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido] |
---|---|
Formula | C8 H20 Cd2 Cl6 N2 O2 |
Calculated formula | C8 H20 Cd2 Cl6 N2 O2 |
SMILES | [Cd]1([Cl][Cd]2(Cl)([Cl]1)(Cl)[Cl][Cd]1([Cl][Cd](Cl)([Cl]1)Cl)([Cl]2)([O]1CC[NH2+]CC1)[O]1CC[NH2+]CC1)(Cl)(Cl)([O]1CC[NH2+]CC1)[O]1CC[NH2+]CC1 |
Title of publication | <i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido] |
Authors of publication | Wang, Wen-xiang; Dai, Jing |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | m1144 |
a | 7.0496 ± 0.0014 Å |
b | 14.404 ± 0.003 Å |
c | 17.583 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1785.4 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0499 |
Weighted residual factors for all reflections included in the refinement | 0.0506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2231181.html
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Users of the data should acknowledge the original authors of the
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