Information card for entry 7213868

Structure parameters

• Formula: C32 H24 N10
• Calculated formula: C32 H24 N10
• SMILES: N(c1ccc(N(c2ccncc2)c2ccncc2)cc1)(c1nc(n2nccc2)ccc1)c1nc(n2nccc2)ccc1
• Title of publication: Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence
• Authors of publication: Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1010
• a: 18.3083 ± 0.0018 Å
• b: 6.8191 ± 0.0005 Å
• c: 22.558 ± 0.002 Å
• α: 90°
• β: 101.519 ± 0.001°
• γ: 90°
• Cell volume: 2759.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No