Information card for entry 7025647

Structure parameters

• Common name: ZnONCpy
• Formula: C34 H54 N2 O8 Zn2
• Calculated formula: C34 H54 N2 O8 Zn2
• SMILES: [Zn]123([n]4ccccc4)[O]=C(O[Zn]([n]4ccccc4)([O]=C(O1)CC(C)(C)C)([O]=C(O2)CC(C)(C)C)OC(=[O]3)CC(C)(C)C)CC(C)(C)C
• Title of publication: Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.
• Authors of publication: Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 8050 - 8063
• a: 9.88 ± 0.003 Å
• b: 18.289 ± 0.005 Å
• c: 21.322 ± 0.006 Å
• α: 90°
• β: 96.485 ± 0.004°
• γ: 90°
• Cell volume: 3828.1 ± 1.9 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 2 K
• Number of distinct elements: 5
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No