Information card for entry 7021461

Structure parameters

• Chemical name: [LaCu5(C8H8N2O2)5(C6H8O4)2]2(NO3)0.5(OH)1.5(H2O)32)
• Formula: C97 H161.5 Cu10 La2 N20.5 O63
• Calculated formula: C92 H96 Cu10 La2 N20.5 O63.5
• Title of publication: Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.
• Authors of publication: Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9803 - 9808
• a: 16.23 ± 0.004 Å
• b: 28.842 ± 0.007 Å
• c: 17.042 ± 0.004 Å
• α: 90°
• β: 102.679 ± 0.014°
• γ: 90°
• Cell volume: 7783 ± 3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No