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Information card for entry 7235519
Preview
Coordinates | 7235519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H40 Ca4 N5 Na O36 |
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Calculated formula | C28 H40 Ca4 N5 Na O36 |
SMILES | O=C([O-])CN(CC(=O)[O-])CCOCCOCCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CC(=O)[O-])CCOCCOCCN(CC(=O)[O-])CC(=O)[O-].O.O.O.O.O.O.[O-]N(=O)=O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Na+].O.O.O.O.O.O.O |
Title of publication | A water soluble calcium‒sodium based coordination polymer: selective release of calcium at specific binding sites on proteins |
Authors of publication | Gaur, Ruchi; Susmitha, Ambadipudi; Chary, K. V. R.; Mishra, Lallan |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 46 |
Pages of publication | 24038 |
a | 19.304 ± 0.003 Å |
b | 16.87 ± 0.0014 Å |
c | 19.321 ± 0.003 Å |
α | 90° |
β | 107.1 ± 0.02° |
γ | 90° |
Cell volume | 6013.9 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1674 |
Residual factor for significantly intense reflections | 0.098 |
Weighted residual factors for significantly intense reflections | 0.2245 |
Weighted residual factors for all reflections included in the refinement | 0.2672 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
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/7235519.html
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Users of the data should acknowledge the original authors of the
structural data.