Information card for entry 7042387

Structure parameters

• Formula: C32 H40 F18 Mo N2 O3
• Calculated formula: C32 H40 F18 Mo N2 O3
• Title of publication: Formation of paramagnetic metallacyclobutadienes by reaction of diaminoacetylenes with molybdenum alkylidyne complexes.
• Authors of publication: Àrias, Òscar; Brandhorst, Kai; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4737 - 4748
• a: 12.5635 ± 0.0005 Å
• b: 12.6072 ± 0.0004 Å
• c: 12.7731 ± 0.0004 Å
• α: 88 ± 0.002°
• β: 73.097 ± 0.003°
• γ: 82.987 ± 0.003°
• Cell volume: 1921.25 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No