Information card for entry 1560443

Structure parameters

• Formula: C22 H17 N3
• Calculated formula: C22 H17 N3
• SMILES: n1ccc(cc1)c1nc(cc(c1)c1ccc(cc1)C)c1ccncc1
• Title of publication: Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone
• Authors of publication: Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 251
• Pages of publication: 79 - 89
• a: 8.5524 ± 0.0016 Å
• b: 9.5677 ± 0.0018 Å
• c: 11.444 ± 0.002 Å
• α: 89.151 ± 0.002°
• β: 69.103 ± 0.002°
• γ: 73.378 ± 0.002°
• Cell volume: 834.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No