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Information card for entry 7051835
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Coordinates | 7051835.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [K(15c5)2](cdm).H2O |
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Chemical name | [K(15c5)2](cdm).H2O |
Formula | C24 H44 K N3 O12 |
Calculated formula | C24 H44 K N3 O12 |
SMILES | [K]12345678([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1CC[O]5CC[O]6CC[O]7CC[O]8CC1.[O-]C(N)=C(C#N)C#N.O |
Title of publication | Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2− |
Authors of publication | Turner, David R.; Pek, Sze Nee; Batten, Stuart R. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 4 |
Pages of publication | 719 |
a | 16.1381 ± 0.0003 Å |
b | 18.4737 ± 0.0004 Å |
c | 22.6934 ± 0.0005 Å |
α | 113.457 ± 0.001° |
β | 96.583 ± 0.001° |
γ | 93.778 ± 0.001° |
Cell volume | 6119.2 ± 0.2 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 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 | 0.0846 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7051835.html
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Users of the data should acknowledge the original authors of the
structural data.