Information card for entry 1577455

Structure parameters

• Common name: [Na(THF)4][WO(2,6-dimethylphenoxide)4]
• Chemical name: [Na(THF)4][WO(ODmp)4]
• Formula: C12 H17 Na0.25 O2.25 W0.25
• Calculated formula: C12 H17 Na0.25 O2.25 W0.25
• Title of publication: Excited-state orbital angular momentum enables all-optical molecular spin coherence
• Authors of publication: Sutcliffe, Erica; Aalto, Jonathan P.; Hadt, Ryan G.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.4381 ± 0.0004 Å
• b: 13.4381 ± 0.0004 Å
• c: 25.945 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4685.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No