Information card for entry 7019129

Structure parameters

• Formula: C44 H36 Mo2 O10
• Calculated formula: C44 H36 Mo2 O10
• Title of publication: Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution.
• Authors of publication: Hicks, Jamie; Ring, Sam P.; Patmore, Nathan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6641 - 6650
• a: 18.816 ± 0.0006 Å
• b: 12.8292 ± 0.0004 Å
• c: 17.2278 ± 0.0005 Å
• α: 90°
• β: 90.032 ± 0.002°
• γ: 90°
• Cell volume: 4158.7 ± 0.2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No