Information card for entry 7031623

Structure parameters

• Formula: C20 H20 Cl Cu N3 O
• Calculated formula: C20 H20 Cl Cu N3 O
• SMILES: [Cu]123(Cl)[n]4c(cccc4)CC[N]2(Cc2[n]1cccc2)Cc1c(cccc1)O3
• Title of publication: Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.
• Authors of publication: Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13500 - 13508
• a: 22.477 ± 0.004 Å
• b: 12.052 ± 0.002 Å
• c: 20.103 ± 0.004 Å
• α: 90°
• β: 102.013 ± 0.005°
• γ: 90°
• Cell volume: 5326.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No