Information card for entry 4310088

Structure parameters

• Formula: C22 H20 N2
• Calculated formula: C22 H20 N6
• SMILES: c1n(ccn1)c1ccc(cc1)/C(=N/N=C(/c1ccc(cc1)n1cncc1)C)C
• Title of publication: Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand
• Authors of publication: Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8762 - 8769
• a: 8.4037 ± 0.0005 Å
• b: 7.4235 ± 0.0004 Å
• c: 14.9619 ± 0.0009 Å
• α: 90°
• β: 94.284 ± 0.001°
• γ: 90°
• Cell volume: 930.79 ± 0.09 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No