Information card for entry 2205318

Structure parameters

• Chemical name: (Nitrato-κO)(1,10-phenanthroline-κ^2^N,N')(picolinato N-oxide- κ^2^O,O')copper(II)
• Formula: C18 H12 Cu N4 O6
• Calculated formula: C18 H12 Cu N4 O6
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([O]=n1c(C(=O)O2)cccc1)ON(=O)=O
• Title of publication: (Nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')(picolinato <i>N</i>-oxide-κ^2^<i>O,O</i>')copper(II)
• Authors of publication: Lei Gou; Xiong-Wei Qu; Bo Zheng; Dao-Yong Wang; Huai-Ming Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m441 - m442
• a: 9.2861 ± 0.0011 Å
• b: 9.5829 ± 0.0012 Å
• c: 18.438 ± 0.003 Å
• α: 90°
• β: 90.75 ± 0.004°
• γ: 90°
• Cell volume: 1640.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes