Information card for entry 2235375

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc
• Formula: C17 H14 Br2 Cl4 N2 Zn
• Calculated formula: C17 H14 Br2 Cl4 N2 Zn
• SMILES: [Zn]1(Br)(Br)[N](CCC[N]1=Cc1c(Cl)cccc1Cl)=Cc1c(Cl)cccc1Cl
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc
• Authors of publication: Khalaji, Aliakbar Dehno; Grivani, Gholamhossein; Seyyedi, Mohammad; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m971
• a: 17.0433 ± 0.0003 Å
• b: 9.3216 ± 0.0002 Å
• c: 13.6038 ± 0.0002 Å
• α: 90°
• β: 97.313 ± 0.002°
• γ: 90°
• Cell volume: 2143.67 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections: 1.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes