Information card for entry 2204205

Structure parameters

• Chemical name: diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc
• Formula: C50 H64 Ce2 N2 O22 Zn2
• Calculated formula: C50 H64 Ce2 N2 O22 Zn2
• SMILES: C1(=[O][Zn]2([O]=C(C(C)=C)O[Ce]345(O1)(OC(C(=C)C)=[O]2)([O]=C([O]3[Ce]1236(OC(C(=C)C)=[O][Zn]([n]7ccccc7)([O]=C(C(=C)C)O1)[O]=C(C(C)=C)O2)([O]=C([O]53)C(=C)C)([O]=C(C(=C)C)O6)[OH2])C(=C)C)([O]=C(C(=C)C)O4)[OH2])[n]1ccccc1)C(=C)C
• Title of publication: A tetranuclear zinc–cerium complex: diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc
• Authors of publication: Wu, Bin; Guo, Yong-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1261 - m1263
• a: 11.0788 ± 0.0003 Å
• b: 11.9997 ± 0.0003 Å
• c: 12.4604 ± 0.0004 Å
• α: 99.336 ± 0.001°
• β: 106.3 ± 0.001°
• γ: 101.556 ± 0.001°
• Cell volume: 1515.09 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0314
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No