Information card for entry 1561434

Structure parameters

• Formula: C56 H40 N6
• Calculated formula: C56 H40 N6
• SMILES: n1ccc(cc1)c1ccc(N(c2ccc(cc2)c2ccncc2)c2ccc(cc2)c2ccc(N(c3ccc(cc3)c3ccncc3)c3ccc(cc3)c3ccncc3)cc2)cc1
• Title of publication: Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units
• Authors of publication: Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 239
• Pages of publication: 53 - 57
• a: 16.293 ± 0.002 Å
• b: 16.709 ± 0.002 Å
• c: 17.586 ± 0.002 Å
• α: 90°
• β: 92.956 ± 0.002°
• γ: 90°
• Cell volume: 4781.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No