Information card for entry 7019127

Structure parameters

• Formula: C95 H75 Mo2 N11 O4
• Calculated formula: C95 H75 Mo2 N11 O4
• 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: 13.501 ± 0.004 Å
• b: 20.289 ± 0.006 Å
• c: 14.126 ± 0.004 Å
• α: 90°
• β: 90.104 ± 0.008°
• γ: 90°
• Cell volume: 3869 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0708
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No