Information card for entry 4321942

Structure parameters

• Formula: C12 H12 K6 N12 O6 Se4 W4
• Calculated formula: C12 K6.0002 N12 O6 Se4 W4
• Title of publication: Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
• Authors of publication: V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1956 - 1965
• a: 14.175 ± 0.001 Å
• b: 21.298 ± 0.002 Å
• c: 13.725 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4143.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No