Information card for entry 4123296

Structure parameters

• Formula: C75 H87 N3 O6 W0.5
• Calculated formula: C75 H87 N3 O6 W0.5
• 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: 13.4059 ± 0.0005 Å
• b: 17.0452 ± 0.0006 Å
• c: 17.3447 ± 0.0006 Å
• α: 62.0827 ± 0.0014°
• β: 82.602 ± 0.0016°
• γ: 70.1845 ± 0.0015°
• Cell volume: 3292.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No