Information card for entry 8107233

Structure parameters

• Formula: C30 H34 Cl4 N8 Zn
• Calculated formula: C30 H34 Cl4 N8 Zn
• SMILES: [Zn](Cl)(Cl)([n]1cn(nc1)C[C@](CCCC)(C#N)c1ccc(Cl)cc1)[n]1cn(nc1)C[C@](CCCC)(C#N)c1ccc(Cl)cc1.[Zn](Cl)(Cl)([n]1cn(nc1)C[C@@](CCCC)(C#N)c1ccc(Cl)cc1)[n]1cn(nc1)C[C@@](CCCC)(C#N)c1ccc(Cl)cc1
• Title of publication: The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
• Authors of publication: Liu, Hui-Jin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 849 - 851
• a: 20.235 ± 0.002 Å
• b: 6.5462 ± 0.0008 Å
• c: 27.386 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3627.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No