Information card for entry 7043037

Structure parameters

• Formula: C96 H88 Cu8 N8 O34
• Calculated formula: C96 H88 Cu8 N8 O34
• Title of publication: A porous two-dimensional Zn(II)-coordination polymer exhibiting SC-SC transmetalation with Cu(II):efficient heterogeneous catalysis for the Henry reaction and detection of nitro explosives
• Authors of publication: Gupta, Mayank; De, Dinesh; Pal, Sanchari; Pal, Tapan Kumar; Tomar, Kapil
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.1157 ± 0.0015 Å
• b: 20.9966 ± 0.0017 Å
• c: 35.435 ± 0.003 Å
• α: 90°
• β: 97.521 ± 0.002°
• γ: 90°
• Cell volume: 14100 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No