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Information card for entry 1570553
Preview
Coordinates | 1570553.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H35.5 Cl Ho0.5 N3.5 O7 |
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Calculated formula | C14 H33.5 Cl Ho0.5 N3.5 O7 |
Title of publication | LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry. |
Authors of publication | Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 113 - 123 |
a | 17.4077 ± 0.0007 Å |
b | 17.4077 ± 0.0007 Å |
c | 6.773 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2052.41 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 100 |
Hermann-Mauguin space group symbol | P 4 b m |
Hall space group symbol | P 4 -2ab |
Residual factor for all reflections | 0.0354 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.0458 |
Weighted residual factors for all reflections included in the refinement | 0.049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/1570553.html
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