Information card for entry 7207420

Structure parameters

• Formula: C42 H94 Cu6 Gd4 N12 O65
• Calculated formula: C42 H94 Cu6 Gd4 N12 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: 11.0485 ± 0.0003 Å
• b: 13.1016 ± 0.0003 Å
• c: 15.4028 ± 0.0003 Å
• α: 73.203 ± 0.002°
• β: 72.574 ± 0.002°
• γ: 79.917 ± 0.002°
• Cell volume: 2026.92 ± 0.09 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: 0.0569
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No