Information card for entry 2206774

Structure parameters

• Chemical name: Aqua(4'-hydroxy-2,2',6',6''-terpyridyl)copper(II) perchlorate
• Formula: C15 H13 Cl2 Cu N3 O10
• Calculated formula: C15 H13 Cl2 Cu N3 O10
• SMILES: [Cu]12([n]3ccccc3c3[n]1c(cc(c3)O)c1cccc[n]21)([OH2])OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Aqua(4'-hydroxy-2,2';6',6''-terpyridyl)copper(II) bis(perchlorate)
• Authors of publication: Jeitler, James R.; Turnbull, Mark M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1846 - m1848
• a: 8.487 ± 0.004 Å
• b: 11.23 ± 0.003 Å
• c: 19.662 ± 0.008 Å
• α: 90°
• β: 100.19 ± 0.03°
• γ: 90°
• Cell volume: 1844.4 ± 1.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes