Information card for entry 4083752

Structure parameters

• Common name: cmpd3
• Chemical name: cmpd3
• Formula: C22 H41 Mo N3
• Calculated formula: C22 H41 Mo N3
• 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: 17.3463 ± 0.0007 Å
• b: 14.9955 ± 0.0006 Å
• c: 9.0807 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2362.04 ± 0.17 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: 0.0191
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0398
• 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