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Information card for entry 7225780
Preview
Coordinates | 7225780.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H36 Cl2 Gd N7 O11 |
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Calculated formula | C35 H36 Cl2 Gd N7 O11 |
SMILES | [Gd]123456([O]=N(=O)O1)(ON(=[O]4)=O)(ON(=O)=[O]2)[O]=C(N(c1ccc(cc1)CC)CC)c1[n]5c2c4[n]6c(C(=[O]3)N(c3ccc(cc3)CC)CC)ccc4ccc2cc1.ClCCl |
Title of publication | 1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals |
Authors of publication | Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 17.021 ± 0.0011 Å |
b | 12.1614 ± 0.0006 Å |
c | 18.8076 ± 0.0008 Å |
α | 90° |
β | 97.13 ± 0.005° |
γ | 90° |
Cell volume | 3863.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1137 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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