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Information card for entry 7115638
Preview
Coordinates | 7115638.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H18 Ba2 N2 O13 |
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Calculated formula | C24 H18 Ba2 N2 O13 |
SMILES | [Ba+2].O=C(c1cc(C(=O)[O-])cc(c1)NC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1)[O-].[Ba+2].O.O.O |
Title of publication | A barium based coordination polymer for the activity assay of deoxyribonuclease I |
Authors of publication | Chan Song; Guan-Yao Wang; Ya-Ling Wang; De-Ming Kong; Yong-Jian Wang; Yue Li; Wen-Juan Ruan |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11177 |
a | 7.8709 ± 0.0016 Å |
b | 8.8711 ± 0.0018 Å |
c | 19.835 ± 0.004 Å |
α | 100.55 ± 0.03° |
β | 92.53 ± 0.03° |
γ | 92.59 ± 0.03° |
Cell volume | 1358.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0406 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/7115638.html
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