Information card for entry 7038878

Structure parameters

• Formula: C21 H17 N5 O4
• Calculated formula: C21 H17 N5 O4
• SMILES: Oc1ccccc1/C=N/NC(=O)c1nc(C(=O)N/N=C/c2c(O)cccc2)ccc1
• Title of publication: The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.
• Authors of publication: Hussain, Navid; Bhardwaj, Vimal K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7697 - 7707
• a: 10.4435 ± 0.0012 Å
• b: 23.687 ± 0.003 Å
• c: 7.681 ± 0.0008 Å
• α: 90°
• β: 104.11 ± 0.003°
• γ: 90°
• Cell volume: 1842.8 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1335
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No