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Information card for entry 1561720
Preview
Coordinates | 1561720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H4 Ba2 O9 |
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Calculated formula | C10 H2 Ba2 O9 |
SMILES | C(=O)(c1cc(c(C(=O)[O-])cc1C(=O)[O-])C(=O)[O-])[O-].[Ba+2].O.[Ba+2] |
Title of publication | Crystal growth, differential gas adsorption, high thermal stability, and reversible coordination of two new barium-organic frameworks, Ba(SBA)(DMF)4 and Ba2(BTEC)(H2O) |
Authors of publication | Halake, Shobha; Ok, Kang Min |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2015 |
Journal volume | 231 |
Pages of publication | 132 - 137 |
a | 7.7991 ± 0.0002 Å |
b | 17.5211 ± 0.0004 Å |
c | 9.06 ± 0.0002 Å |
α | 90° |
β | 114.524 ± 0.002° |
γ | 90° |
Cell volume | 1126.35 ± 0.05 Å3 |
Cell temperature | 173 ± 0.2 K |
Ambient diffraction temperature | 173 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0651 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0677 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
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/1561720.html
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