Information card for entry 7031624

Structure parameters

• Formula: C17 H16 N4
• Calculated formula: C17 H16 N4
• SMILES: n1c(cccc1)NC(c1ccccc1)Nc1ncccc1
• 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: 8.887 ± 0.008 Å
• b: 17.728 ± 0.015 Å
• c: 18.635 ± 0.016 Å
• α: 90°
• β: 90.707 ± 0.012°
• γ: 90°
• Cell volume: 2936 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No