Information card for entry 7130480

Structure parameters

• Formula: C18 H36 Mo N2 O4
• Calculated formula: C18 H36 Mo N2 O4
• Title of publication: TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO)
• Authors of publication: Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.058 ± 0.0006 Å
• b: 15.6515 ± 0.0005 Å
• c: 12.1533 ± 0.0005 Å
• α: 90°
• β: 118.845 ± 0.006°
• γ: 90°
• Cell volume: 2009.06 ± 0.19 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0533
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No