Information card for entry 4317616

Structure parameters

• Formula: C76 H31 Mn3 N28 O9 W2
• Calculated formula: C76 H48 Mn3 N28 O9 W2
• Title of publication: Pentanuclear Octacyanotungstate(V)-Based Molecule with a High Spin Ground State S=13/2
• Authors of publication: Robert Podgajny; Cédric Desplanches; Barbara Sieklucka; Roberta Sessoli; Vincent Villar; Carley Paulsen; Wolfgang Wernsdorfer; Yves Dromzée; Michel Verdaguer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1323 - 1327
• a: 31.161 ± 0.004 Å
• b: 11.247 ± 0.004 Å
• c: 24.507 ± 0.004 Å
• α: 90°
• β: 95.21 ± 0.01°
• γ: 90°
• Cell volume: 8553 ± 4 ų
• Cell temperature: 22 K
• Ambient diffraction temperature: 22 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 significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0633
• Goodness-of-fit parameter for significantly intense reflections: 0.9772
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No