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Information card for entry 7703283
Preview
Coordinates | 7703283.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H52 Ca0.5 Ho N5 O14 P |
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Calculated formula | C30 H47 Ca0.5 Ho N5 O14 P |
Title of publication | The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm. |
Authors of publication | Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 5 |
Pages of publication | 1555 - 1569 |
a | 24.1798 ± 0.0013 Å |
b | 10.1265 ± 0.0005 Å |
c | 15.2799 ± 0.0008 Å |
α | 90° |
β | 95.775 ± 0.002° |
γ | 90° |
Cell volume | 3722.4 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.1103 |
Residual factor for significantly intense reflections | 0.1022 |
Weighted residual factors for significantly intense reflections | 0.24 |
Weighted residual factors for all reflections included in the refinement | 0.2429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.338 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7703283.html
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structural data.