Information card for entry 4071685

Structure parameters

• Formula: C64 H63 Mo N O4
• Calculated formula: C64 H63 Mo N O4
• Title of publication: Carboxylate-Based Molybdenum Alkylidene Catalysts: Synthesis, Characterization, and Use as Initiators for 1,6-Heptadiyne Cyclopolymerizations
• Authors of publication: Schrock, Richard R.; Tonzetich, Zachary J.; Lichtscheidl, Alejandro G.; Müller, Peter; Schattenmann, Florian J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3986
• a: 12.194 ± 0.006 Å
• b: 12.241 ± 0.006 Å
• c: 20.29 ± 0.011 Å
• α: 88.751 ± 0.009°
• β: 76.586 ± 0.009°
• γ: 66.079 ± 0.009°
• Cell volume: 2684 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No