Information card for entry 7011178

Structure parameters

• Formula: C16 H18 N4
• Calculated formula: C16 H18 N4
• SMILES: C(C/N=C(c1ccncc1)\C)/N=C(C)/c1ccncc1
• Title of publication: Coordination polymers of transition metal ions with polydentate imine ligands. Syntheses, materials characterization, and crystal structures of polymeric complexes of copper(I), silver(I) and zinc(II)
• Authors of publication: Goutam Kumar Patra; Israel Goldberg
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1051 - 1057
• a: 7.374 ± 0.0005 Å
• b: 10.925 ± 0.0009 Å
• c: 8.912 ± 0.0009 Å
• α: 90°
• β: 110.49 ± 0.003°
• γ: 90°
• Cell volume: 672.54 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No