Information card for entry 7036390

Structure parameters

• Formula: C16 H24 Cu N8 O7
• Calculated formula: C16 H24 Cu N8 O7
• SMILES: [Cu]123([n]4c(C=[N]1[C@@H]1[C@@H]([N]2=Cc2[n]3c[nH]c2C)CCCC1)c([nH]c4)C)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.
• Authors of publication: Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17360 - 17365
• a: 6.7015 ± 0.0003 Å
• b: 18.7764 ± 0.0008 Å
• c: 8.4556 ± 0.0005 Å
• α: 90°
• β: 101.755 ± 0.005°
• γ: 90°
• Cell volume: 1041.65 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No