Information card for entry 7011177

Structure parameters

• Formula: C14 H14 N4
• Calculated formula: C14 H14 N4
• SMILES: C(C/N=C/c1ccncc1)/N=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: 5.99 ± 0.0003 Å
• b: 7.03 ± 0.0003 Å
• c: 7.811 ± 0.0004 Å
• α: 100.901 ± 0.0017°
• β: 99.006 ± 0.0018°
• γ: 106.18 ± 0.002°
• Cell volume: 302.46 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No