Information card for entry 2239337

Structure parameters

• Chemical name: Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate
• Formula: C18 H28 Cl4 N8 O2 Zn2
• Calculated formula: C18 H28 Cl4 N8 O2 Zn2
• SMILES: c1cn2c[n]1[Zn](Cl)(Cl)[n]1cn(CCCn3c[n](cc3)[Zn]([n]3cn(CCC2)cc3)(Cl)Cl)cc1.O.O
• Title of publication: Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate
• Authors of publication: Wang, Xiao-Juan; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m184
• a: 10.1378 ± 0.0004 Å
• b: 9.7173 ± 0.0004 Å
• c: 13.8801 ± 0.0006 Å
• α: 90°
• β: 93.704 ± 0.002°
• γ: 90°
• Cell volume: 1364.5 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes