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Information card for entry 7013877
Preview
Coordinates | 7013877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H21 Cd N3 O8 S2 |
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Calculated formula | C10 H21 Cd N3 O8 S2 |
SMILES | [Cd]12345([NH]6CC[S]1CC[O]2CC[O]3CC[S]4CC6)(ON(=[O]5)=O)ON(=O)=O |
Title of publication | Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles. |
Authors of publication | Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 13 |
Pages of publication | 1953 - 1959 |
a | 10.2949 ± 0.0007 Å |
b | 12.8171 ± 0.0008 Å |
c | 12.8662 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1697.7 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0156 |
Residual factor for significantly intense reflections | 0.0153 |
Weighted residual factors for significantly intense reflections | 0.0395 |
Weighted residual factors for all reflections included in the refinement | 0.0397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7013877.html
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