Information card for entry 7225781

Structure parameters

• Formula: C69 H72 Cl2 N10 O11 Zn
• Calculated formula: C69 H72 Cl2 N10 O11 Zn
• 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: 18.5779 ± 0.0009 Å
• b: 19.4068 ± 0.0008 Å
• c: 20.2775 ± 0.001 Å
• α: 90°
• β: 113.656 ± 0.006°
• γ: 90°
• Cell volume: 6696.5 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1786
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No