Information card for entry 7102124

Structure parameters

• Formula: C68 H84 O14 W2
• Calculated formula: C68 H84 O14 W2
• Title of publication: Concerning the molecular and electronic structure of a tungsten-tungsten quadruply bonded complex supported by two 6-carboethoxy-2-carboxylatoazulene ligands.
• Authors of publication: Barybin, Mikhail V; Chisholm, Malcolm H; Patmore, Nathan J; Robinson, Randall E; Singh, Namrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3652 - 3654
• a: 10.358 ± 0.003 Å
• b: 10.563 ± 0.003 Å
• c: 17.222 ± 0.007 Å
• α: 106.775 ± 0.01°
• β: 93.233 ± 0.01°
• γ: 114.97 ± 0.02°
• Cell volume: 1600.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No