Information card for entry 4086599

Structure parameters

• Formula: C44.5 H64 Mo2 N2 O8
• Calculated formula: C44.5 H64 Mo2 N2 O8
• Title of publication: N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes
• Authors of publication: Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2494
• a: 11.2778 ± 0.0002 Å
• b: 27.5134 ± 0.0006 Å
• c: 15.7145 ± 0.0004 Å
• α: 90°
• β: 97.019 ± 0.002°
• γ: 90°
• Cell volume: 4839.52 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No