Information card for entry 7717371

Structure parameters

• Formula: C49 H67 Mo N3 O2 S
• Calculated formula: C44 H55 Mo N3 O2 S
• Title of publication: Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands
• Authors of publication: Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 37.041 ± 0.002 Å
• b: 37.041 ± 0.002 Å
• c: 21.5515 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25608 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No