Information card for entry 4123295

Structure parameters

• Formula: C132 H162 N6 O18 W
• Calculated formula: C132 H162 N6 O18 W
• Title of publication: Bespoke photoreductants: tungsten arylisocyanides.
• Authors of publication: Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1198 - 1205
• a: 13.6451 ± 0.001 Å
• b: 20.7417 ± 0.0011 Å
• c: 21.987 ± 0.0016 Å
• α: 90°
• β: 91.886 ± 0.002°
• γ: 90°
• Cell volume: 6219.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No