Information card for entry 2016507

Structure parameters

• Chemical name: dichloridobis(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)zinc(II)
• Formula: C32 H12 Cl2 N12 Zn
• Calculated formula: C32 H12 Cl2 N12 Zn
• SMILES: [Zn]12(Cl)(Cl)([n]3cccc4c5c(c6ccc[n]1c6c34)nc(c(n5)C#N)C#N)[n]1cccc3c4c(c5ccc[n]2c5c13)nc(c(n4)C#N)C#N
• Title of publication: Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile
• Authors of publication: Kozlov, Leonid; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m123 - m126
• a: 8.3051 ± 0.0002 Å
• b: 12.6449 ± 0.0003 Å
• c: 28.0176 ± 0.0012 Å
• α: 90°
• β: 97.766 ± 0.002°
• γ: 90°
• Cell volume: 2915.34 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes