Information card for entry 7715480

Structure parameters

• Formula: C41 H44 N6 O5 Zn
• Calculated formula: C41 H44 N6 O5 Zn
• SMILES: [Zn]123(Oc4n(nc(c4C(=[O]1)c1ccccc1)C)c1ccccc1)([NH2][C@H]1CCCC[C@@H]1[NH2]2)Oc1n(nc(c1C(=[O]3)c1ccccc1)C)c1ccccc1.OC
• Title of publication: Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate <i>bis</i>-pyrazolonate-Zn²⁺ complexes.
• Authors of publication: Liu, Jiaxiang; Zhao, Yuzhen; Zhang, Zhe; Li, Manni; Song, Wenqi; Li, Wentao; Miao, Zongcheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6625 - 6630
• a: 11.4625 ± 0.0006 Å
• b: 13.1925 ± 0.0007 Å
• c: 14.4678 ± 0.0007 Å
• α: 67.905 ± 0.002°
• β: 83.474 ± 0.002°
• γ: 70.309 ± 0.002°
• Cell volume: 1908.38 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No