Information card for entry 2204877

Structure parameters

• Chemical name: di-μ-adipato-κ^6^O,O':O'';O:O',O''-bis[aqua(1,10-phenanthroline- κ^2^N,N')zinc(II)]
• Formula: C36 H36 N4 O10 Zn2
• Calculated formula: C36 H36 N4 O10 Zn2
• SMILES: [n]12c3c4c(ccc3ccc2)ccc[n]4[Zn]231([O]=C(O2)CCCCC(=O)O[Zn]12([n]4cccc5ccc6ccc[n]1c6c45)([O]=C(O2)CCCCC(=O)O3)[OH2])[OH2]
• Title of publication: Di-μ-adipato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>'';<i>O</i>:<i>O</i>',<i>O</i>''-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)zinc(II)]
• Authors of publication: Ding, Cai-Feng; Zhang, Shu-Sheng; Zhu, Mei; Li, Xue-Mei; Xu, Hong; Ouyang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m147 - m148
• a: 8.1984 ± 0.0004 Å
• b: 9.7549 ± 0.0005 Å
• c: 11.8636 ± 0.0006 Å
• α: 70.971 ± 0.001°
• β: 75.508 ± 0.001°
• γ: 72.077 ± 0.001°
• Cell volume: 841.48 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes