Information card for entry 4071684

Structure parameters

• Formula: C66.5 H82 Cl2 Mo N O4 P
• Calculated formula: C66.5 H82 Cl2 Mo N O4 P
• 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: 12.7389 ± 0.0003 Å
• b: 14.0067 ± 0.0004 Å
• c: 17.7003 ± 0.0004 Å
• α: 81.619 ± 0.001°
• β: 77.502 ± 0.001°
• γ: 88.948 ± 0.001°
• Cell volume: 3050.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No