Information card for entry 4322385

Structure parameters

• Formula: C82 H99 N5 O S10 W2
• Calculated formula: C82 H99 N5 O S10 W2
• Title of publication: Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
• Authors of publication: Christine A. Goddard; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5389 - 5398
• a: 11.7885 ± 0.0002 Å
• b: 15.9465 ± 0.0003 Å
• c: 23.7428 ± 0.0005 Å
• α: 87.962 ± 0.001°
• β: 76.601 ± 0.001°
• γ: 79.402 ± 0.001°
• Cell volume: 4267.63 ± 0.14 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.0936
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No