Information card for entry 7225780

Structure parameters

• Formula: C35 H36 Cl2 Gd N7 O11
• 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 ų
• 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