Information card for entry 4315398

Structure parameters

• Common name: mk110
• Formula: C40 H62 Ce2 N20 O16 S8 W2
• Calculated formula: C40 H62 Ce2 N20 O16 S8 W2
• SMILES: C(#[N][Ce]1([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([OH2])([OH2])[n]2c3[n](ccc2)[Ce]([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([OH2])([OH2])[n]2c3[n]1ccc2)[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O
• Title of publication: Magnetic Properties versus Network Dimensionality of Cerium(III) Octacyanotungstate(V) Compounds
• Authors of publication: Marcin Kozieł; Robert Pełka; Michał Rams; Wojciech Nitek; Barbara Sieklucka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4268 - 4277
• a: 10.215 ± 0.005 Å
• b: 11.218 ± 0.005 Å
• c: 16.544 ± 0.005 Å
• α: 86.114 ± 0.005°
• β: 74.056 ± 0.005°
• γ: 87.544 ± 0.005°
• Cell volume: 1818.1 ± 1.3 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: 0.0529
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No