Information card for entry 7019128

Structure parameters

• Formula: C88 H72 Mo2 N4 S4
• Calculated formula: C88 H72 Mo2 N4 S4
• 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: 26.8014 ± 0.0014 Å
• b: 26.8014 ± 0.0014 Å
• c: 10.1004 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7255.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No