Information card for entry 2236009

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2- diamine-κ^2^<i>N</i>,<i>N</i>']dibromidomercury(II)
• Formula: C22 H28 Br2 Hg N2 O6
• Calculated formula: C22 H28 Br2 Hg N2 O6
• SMILES: [Hg]1(Br)(Br)[N](CC[N]1=Cc1c(OC)c(OC)c(OC)cc1)=Cc1c(OC)c(OC)c(OC)cc1
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']dibromidomercury(II)
• Authors of publication: Khalaji, Aliakbar Dehno; Dušek, Michal; Fejfarová, Karla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1044
• a: 7.7847 ± 0.0001 Å
• b: 7.7944 ± 0.0002 Å
• c: 21.1957 ± 0.0008 Å
• α: 93.487 ± 0.002°
• β: 93.163 ± 0.002°
• γ: 96.912 ± 0.002°
• Cell volume: 1271.84 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes