Information card for entry 7717357

Structure parameters

• Formula: C39 H53 Mo N3 O3
• Calculated formula: C39 H53 Mo N3 O3
• 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 R.; Hohloch, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 582 - 594
• a: 5.8275 ± 0.0012 Å
• b: 19.533 ± 0.004 Å
• c: 31.857 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3626.2 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No