Information card for entry 2007877

Structure parameters

• Chemical name: [N-(2-amino-ethyl-N)-1,2-ethylenediamine-N, N'](isonicotinate-N)(water) Copper(II) hexafluorophosphate
• Formula: C10 H19 Cu F6 N4 O3 P
• Calculated formula: C10 H19 Cu F6 N4 O3 P
• SMILES: [Cu]12([OH2])([n]3ccc(C(=O)[O-])cc3)[NH2]CC[NH]2CC[NH2]1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Aqua(diethylenetriamine)(isonicotinato)copper(II) Hexafluorophosphate
• Authors of publication: Nie, Feng-Mei; Wang, Zhe-Ming; Li, Yan-Mei; Zhao, Yu-Fen; Yan, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1853 - 1855
• a: 13.1568 ± 0.0006 Å
• b: 7.9676 ± 0.0004 Å
• c: 16.1884 ± 0.001 Å
• α: 90°
• β: 96.246 ± 0.005°
• γ: 90°
• Cell volume: 1686.93 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes