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Information card for entry 4511918
Preview
Coordinates | 4511918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H44 Cu2 N8 O24 |
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Calculated formula | C28 H44 Cu2 N8 O24 |
SMILES | C1(=O)N(C=CC(=O)N1)CCC1=[O][Cu]234([Cu](O1)([OH2])([O]=C(CCN1C(=O)NC(=O)C=C1)O2)(OC(CCN1C(=O)NC(=O)C=C1)=[O]4)[O]=C(CCN1C(=O)NC(=O)C=C1)O3)[OH2].O.O.O.O.O.O |
Title of publication | Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs |
Authors of publication | Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 10 |
Pages of publication | 5171 |
a | 9.583 ± 0.005 Å |
b | 9.934 ± 0.005 Å |
c | 10.942 ± 0.005 Å |
α | 78.546 ± 0.005° |
β | 84.329 ± 0.005° |
γ | 85.907 ± 0.005° |
Cell volume | 1014.5 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.0981 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71069 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/4511918.html
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Users of the data should acknowledge the original authors of the
structural data.