Information card for entry 2234028

Structure parameters

• Chemical name: Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc
• Formula: C21 H15 Cl2 N3 Zn
• Calculated formula: C21 H15 Cl2 N3 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
• Title of publication: Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc
• Authors of publication: Ma, Zhen; Liang, Baohuan; Yang, Mei; Lu, Lingjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m298 - m299
• a: 12.0728 ± 0.001 Å
• b: 9.564 ± 0.0008 Å
• c: 17.5822 ± 0.0013 Å
• α: 90°
• β: 111.386 ± 0.005°
• γ: 90°
• Cell volume: 1890.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes