Information card for entry 1572253

Structure parameters

• Chemical name: tetra(o-tolyl)molybdenum
• Formula: C28 H28 Mo
• Calculated formula: C28 H28 Mo
• SMILES: c1(ccccc1C)[Mo](c1ccccc1C)(c1ccccc1C)c1ccccc1C
• Title of publication: Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.
• Authors of publication: Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 14016 - 14026
• a: 11.849 ± 0.0002 Å
• b: 11.849 ± 0.0002 Å
• c: 7.8931 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.18 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No