Information card for entry 2204310

Structure parameters

• Chemical name: bis(2,2'-bipyridine)hexakis-μ-methacrylato-nitratocerium(III)dizinc(II)
• Formula: C44 H46 Ce N5 O15 Zn2
• Calculated formula: C44 H46 Ce N5 O15 Zn2
• SMILES: [Ce]12345(OC(C(C)=C)=[O][Zn]6([O]=C(C(C)=C)O1)([O]=C(O2)C(=C)C)[n]1ccccc1c1[n]6cccc1)([O]=N(O3)=O)OC(=[O][Zn]1([O]=C(C(=C)C)O4)([O]=C(O5)C(=C)C)[n]2ccccc2c2[n]1cccc2)C(=C)C
• Title of publication: A trinuclear zinc‒cerium complex: [CeZn~2~{CH~2~C(CH~3~)COO}~6~(NO~3~)(2,2'-bipyridine)~2~]
• Authors of publication: Wu, Bin; Guo, Yongsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1356 - m1358
• a: 11.3384 ± 0.0013 Å
• b: 13.6971 ± 0.0009 Å
• c: 16.4806 ± 0.0011 Å
• α: 104.434 ± 0.001°
• β: 99.374 ± 0.001°
• γ: 100.11 ± 0.001°
• Cell volume: 2382.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes