Information card for entry 2023208

Structure parameters

• Chemical name: Bis[(η^5^-<i>tert</i>-butylcyclopentadienyl)tricarbonylmolybdenum(I)](<i>Mo</i>—<i>Mo</i>)
• Formula: C24 H26 Mo2 O6
• Calculated formula: C24 H26 Mo2 O6
• Title of publication: Crystal structure of bis[(η5-tert-butylcyclopentadienyl)tricarbonylmolybdenum(I)](Mo—Mo)
• Authors of publication: Ibrahimova, Nigar Z.; Tagiyev, Dilgam B.; Lyatifov, Iltifat U.; Akkurt, Mehmet; Hasanov, Khudayar I.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 12.1857 ± 0.0007 Å
• b: 8.0515 ± 0.0005 Å
• c: 12.6153 ± 0.0008 Å
• α: 90°
• β: 105.49 ± 0.002°
• γ: 90°
• Cell volume: 1192.77 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No