Information card for entry 2229466

Structure parameters

• Chemical name: Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc
• Formula: C24 H20 I2 N4 O4 Zn
• Calculated formula: C24 H20 I2 N4 O4 Zn
• SMILES: I[Zn](I)([n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1)[n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1
• Title of publication: Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Williams, Michael L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m359
• a: 18.2091 ± 0.0002 Å
• b: 15.8998 ± 0.0003 Å
• c: 19.0327 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5510.37 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes