Information card for entry 4517095

Structure parameters

• Formula: C12 H12 Cl2 N8 Zn
• Calculated formula: C12 H12 Cl2 N8 Zn
• SMILES: [Cl-].Cl[Zn]12([n]3cc[nH]c3c3[nH]cc[n]13)[n]1cc[nH]c1c1[nH]cc[n]21
• Title of publication: Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions
• Authors of publication: Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2282
• a: 11.0868 ± 0.0007 Å
• b: 11.0868 ± 0.0007 Å
• c: 12.7783 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1570.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No