Information card for entry 7025650

Structure parameters

• Common name: PrZnOBcpy
• Formula: C45 H73 N2 O14 Pr Zn2
• Calculated formula: C45 H73 N2 O14 Pr Zn2
• SMILES: [Pr]12345([O]=C(O[Zn](OC(=[O]1)C(C)(C)C)(OC(=[O]2)C(C)(C)C)[n]1ccccc1)C(C)(C)C)(OC(=[O]3)C(C)(C)C)[O]=C(O[Zn](OC(=[O]4)C(C)(C)C)(OC(=[O]5)C(C)(C)C)[n]1ccccc1)C(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: 19.105 ± 0.002 Å
• b: 15.219 ± 0.002 Å
• c: 19.231 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5591.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No