Information card for entry 4333369

Structure parameters

• Formula: C29 H35 Er N13 O7 W
• Calculated formula: C29 H35 Er N13 O7 W
• SMILES: [W](C#[N][Er]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)([O]=CN(C)C)([O]=CN(C)C)([OH2])[OH2])(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O
• Title of publication: Tuning of Magnetic Properties of Polynuclear Lanthanide(III)−Octacyanotungstate(V) Systems: Determination of Ligand-Field Parameters and Exchange Interaction
• Authors of publication: Przychodzeń, Paweł; Pełka, Robert; Lewiński, Krzysztof; Supel, Justyna; Rams, Michał; Tomala, Krzysztof; Sieklucka, Barbara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8924 - 8938
• a: 9.716 ± 0.0002 Å
• b: 12.248 ± 0.0002 Å
• c: 15.627 ± 0.0002 Å
• α: 90°
• β: 94.814 ± 0.001°
• γ: 90°
• Cell volume: 1853.08 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No