Information card for entry 4321943

Structure parameters

• Formula: C12 H10 K6 N12 O5 Te4 W4
• Calculated formula: C12 K6 N12 O5 Te4 W4
• SMILES: [W]12345([W]6789([W]%10%111([W]26([Te]37)([Te]4%10)([Te]9%11)(C#N)(C#N)C#N)([Te]58)(C#N)(C#N)C#N)(C#N)(C#N)C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O
• 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: 12.399 ± 0.001 Å
• b: 13.187 ± 0.001 Å
• c: 13.496 ± 0.001 Å
• α: 83.712 ± 0.008°
• β: 66.575 ± 0.008°
• γ: 63.223 ± 0.009°
• Cell volume: 1801.1 ± 0.3 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: 0.0796
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No