Information card for entry 7206513

Structure parameters

• Formula: C36 H44 Br4 N8 O12 Zn2
• Calculated formula: C36 H44 Br4 N8 O12 Zn2
• SMILES: Br[Zn]1(Br)[n]2cc(NC(=O)OCCOCCOCCOC(=O)Nc3c[n](ccc3)[Zn]([n]3cc(NC(=O)OCCOCCOCCOC(=O)Nc4c[n]1ccc4)ccc3)(Br)Br)ccc2
• Title of publication: Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers
• Authors of publication: Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5763
• a: 5.1577 ± 0.0012 Å
• b: 21.085 ± 0.005 Å
• c: 21.538 ± 0.005 Å
• α: 90°
• β: 95.032 ± 0.004°
• γ: 90°
• Cell volume: 2333.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No