Information card for entry 7207419

Structure parameters

• Formula: C42 H94 Cu6 N12 Nd4 O65
• Calculated formula: C42 H94 Cu6 N12 Nd4 O65
• Title of publication: Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers
• Authors of publication: Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1842
• a: 11.19 ± 0.002 Å
• b: 13.181 ± 0.003 Å
• c: 15.356 ± 0.003 Å
• α: 73.7 ± 0.03°
• β: 72.87 ± 0.03°
• γ: 79.78 ± 0.03°
• Cell volume: 2066.3 ± 0.8 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No