Information card for entry 4329270

Structure parameters

• Formula: C41.25 H96.2 Cu6 N9 O36.85 Pr
• Calculated formula: C41.25 H96 Cu6 N9 O36.85 Pr
• Title of publication: Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids
• Authors of publication: George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5911 - 5918
• a: 19.892 ± 0.007 Å
• b: 19.892 ± 0.007 Å
• c: 13.304 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4559 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No