Information card for entry 1559360

Structure parameters

• Common name: [Cu3(ap)4DMF]2[Cu6I10]
• Formula: C30 H78 Cu12 I10 N10 O10
• Calculated formula: C30 Cu12 I10 N10 O10
• SMILES: C1CC[NH2][Cu]23[O]1[Cu]1([O]4CCC[NH2][Cu]54[NH2]CCC[O]15)[O]2CCC[NH2]3.[I]12[Cu]3456[I][Cu]716([Cu]1682[I]7[Cu]278([I]1)[I][Cu]7(I)[I]62)[I]4[Cu]5(I)[I]3.N(C=O)(C)C.C1CC[NH2][Cu]23[NH2]CCC[O]3[Cu]3([O]12)[O]1CCC[NH2][Cu]21[NH2]CCC[O]32.N(C=O)(C)C
• Title of publication: Copper(II) Complexes of 3-Aminopropanols. Synthesis and Crystal Structure of a Compound Containing a Trinuclear Copper(II) Cation and a Novel Hexanuclear Iodocuprate(I) Anion
• Authors of publication: Sillanpaa, Reijo; Valkonen, Jussi
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 1072 - 1075
• a: 10.294 ± 0.002 Å
• b: 11.324 ± 0.002 Å
• c: 15.612 ± 0.003 Å
• α: 77.89 ± 0.02°
• β: 76.6 ± 0.02°
• γ: 82.22 ± 0.02°
• Cell volume: 1723.7 ± 0.6 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No