Information card for entry 4329151

Structure parameters

• Formula: C41 H39 Cu Ho N15 O11 W
• Calculated formula: C41 H37 Cu Ho N15 O11 W
• SMILES: C[O]1c2cccc3c2[O]2[Cu]45[N](=C3)CCC[N]4=Cc3cccc4c3[O]5[Ho]3512(ON(=[O]3)=O)(ON(=[O]5)=O)([O]4C)[OH2].c1cccc2c3cccc[n]3[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)[n]12.C(#N)C.C(#N)C.C(#N)C
• Title of publication: [W(bipy)(CN)6]-: A Suitable Metalloligand in the Design of Heterotrimetallic Complexes. The First CuIILnIIIWV Trinuclear Complexes
• Authors of publication: Maria-Gabriela Alexandru; Diana Visinescu; Augustin M. Madalan; Francesc Lloret; Miguel Julve; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4906 - 4908
• a: 11.8603 ± 0.0009 Å
• b: 14.0131 ± 0.001 Å
• c: 14.868 ± 0.0014 Å
• α: 79.165 ± 0.007°
• β: 82.352 ± 0.007°
• γ: 85.57 ± 0.006°
• Cell volume: 2401.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No