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Information card for entry 4133153
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Coordinates | 4133153.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H52 Ba Cl N5 O14 |
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Calculated formula | C33 H52 Ba Cl N5 O14 |
Title of publication | Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>. |
Authors of publication | Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 49 |
Pages of publication | 17071 - 17078 |
a | 14.3442 ± 0.0006 Å |
b | 13.0303 ± 0.0005 Å |
c | 21.5769 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4032.9 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223.15 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0642 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4133153.html
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