Information card for entry 4329575

Structure parameters

• Formula: C50 H32 Cl4 N6 Zn2
• Calculated formula: C50 H32 Cl4 N6 Zn2
• SMILES: c1c2c(cc3c1c(C#Cc1ccc(N4c5[n](cccc5)[Zn]([n]5ccccc45)(Cl)Cl)cc1)ccc3)cccc2C#Cc1ccc(N2c3[n]([Zn]([n]4ccccc24)(Cl)Cl)cccc3)cc1
• Title of publication: Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes
• Authors of publication: Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7039 - 7049
• a: 18.5166 ± 0.0005 Å
• b: 9.1434 ± 0.0002 Å
• c: 35.0635 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5936.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No