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Information card for entry 7223413
Preview
Coordinates | 7223413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H54 N9 O13 Pr |
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Calculated formula | C38 H39 N9 O14 Pr |
SMILES | [Pr]1234567([N](CC(Nc8cc9ccccc9nc8)=[O]3)(CC[N]1(CC[N]2(CC(Nc1cc2ccccc2nc1)=[O]4)CC(=O)O7)CC(=O)O6)CC(=O)O5)[O]=CN(C)C.C(=O)N(C)C.O.O.O.O |
Title of publication | Photocytotoxic luminescent lanthanide complexes of DTPA‒bisamide using quinoline as photosensitizer |
Authors of publication | Singh, Khushbu; Banerjee, Samya; Patra, Ashis Kumar |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 11.343 ± 0.005 Å |
b | 23.53 ± 0.005 Å |
c | 16.714 ± 0.005 Å |
α | 90 ± 0.005° |
β | 109.356 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4209 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0864 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71069 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/7223413.html
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Users of the data should acknowledge the original authors of the
structural data.