Information card for entry 7046730

Structure parameters

• Formula: C42 H56 Cu F6 N3 O4.5 P
• Calculated formula: C42 H56 Cu F6 N3 O4.5 P
• Title of publication: Cooperative bimetallic reactivity of a heterodinuclear molybdenum-copper model of Mo-Cu CODH.
• Authors of publication: Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10017 - 10024
• a: 23.123 ± 0.002 Å
• b: 20.901 ± 0.002 Å
• c: 17.9704 ± 0.0017 Å
• α: 90°
• β: 102.919 ± 0.004°
• γ: 90°
• Cell volume: 8465.1 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No