Information card for entry 4083753

Structure parameters

• Common name: cmpd4
• Chemical name: cmpd4
• Formula: C22 H41 N3 W
• Calculated formula: C22 H41 N3 W
• Title of publication: Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle
• Authors of publication: Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140626135101001
• a: 17.3012 ± 0.0015 Å
• b: 14.9156 ± 0.0013 Å
• c: 9.1426 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No