Information card for entry 7712222

Structure parameters

• Formula: C72 H54 F6 N6 Ni O10 S2
• Calculated formula: C72 H54 F6 N6 Ni O10 S2
• Title of publication: Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission
• Authors of publication: Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 20.003 ± 0.0014 Å
• b: 19.9002 ± 0.0011 Å
• c: 17.2847 ± 0.0011 Å
• α: 90°
• β: 105.098 ± 0.007°
• γ: 90°
• Cell volume: 6642.9 ± 0.8 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.2032
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No