Information card for entry 4336181

Structure parameters

• Formula: C8 H26 Ag2 Cu2 N8 O16
• Calculated formula: C8 H26 Ag2 Cu2 N8 O16
• SMILES: C1C[NH2][Cu]23[O]41[Ag]1([OH]CC[NH2][Cu]54[NH2]CC[O]35[Ag]3([OH]CC[NH2]2)(ON(=[O]3)=O)ON(=O)=O)(ON(=[O]1)=O)ON(=O)=O
• Title of publication: Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and "Bicapped Cubane" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study
• Authors of publication: Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11096 - 11109
• a: 14.9786 ± 0.001 Å
• b: 9.9221 ± 0.0005 Å
• c: 15.4789 ± 0.0012 Å
• α: 90°
• β: 94.305 ± 0.003°
• γ: 90°
• Cell volume: 2294 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No