Information card for entry 4309881

Structure parameters

• Formula: C6 H15 I2.5 K3 Mo3 N7.5 O4.5 Se7
• Calculated formula: C6 I2.5 K3 Mo3 N7.495 O4.5 Se7
• Title of publication: Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family
• Authors of publication: Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8116 - 8124
• a: 12.916 ± 0.0015 Å
• b: 12.916 ± 0.0015 Å
• c: 23.08 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3334.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No