Information card for entry 2215127

Structure parameters

• Chemical name: Bis[μ-2,4-dibromo-6-(2-pyridylmethylaminomethyl)phenolato]\ bis[nitratocopper(II)]
• Formula: C26 H22 Br4 Cu2 N6 O8
• Calculated formula: C26 H22 Br4 Cu2 N6 O8
• SMILES: c1[n]2[Cu]34(ON(=O)=O)[NH](Cc2ccc1)Cc1cc(Br)cc(Br)c1[O]3[Cu]12([n]3ccccc3C[NH]1Cc1cc(Br)cc(Br)c1[O]42)ON(=O)=O
• Title of publication: Bis[μ-2,4-dibromo-6-(2-pyridylmethylaminomethyl)phenolato]bis[nitratocopper(II)]
• Authors of publication: Ji-Cheng Ma; Jin Yang; Jian-Fang Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2284 - m2284
• a: 10.385 ± 0.005 Å
• b: 11.252 ± 0.005 Å
• c: 14.074 ± 0.005 Å
• α: 90°
• β: 104.81 ± 0.005°
• γ: 90°
• Cell volume: 1589.9 ± 1.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes