Information card for entry 7717362

Structure parameters

• Formula: C72.4 H94 Cl2 Mo2 N4 O4.6
• Calculated formula: C70 H88 Cl2 Mo2 N4 O4
• 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: 13.0612 ± 0.0017 Å
• b: 16.0524 ± 0.0018 Å
• c: 18.038 ± 0.002 Å
• α: 103.777 ± 0.006°
• β: 100.008 ± 0.006°
• γ: 104.777 ± 0.006°
• Cell volume: 3439.1 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No