Information card for entry 7107328

Structure parameters

• Formula: C22 H39 I Mo N O2 P2
• Calculated formula: C22 H39 I Mo N O2 P2
• Title of publication: Cleavage of dinitrogen to yield a (t-BuPOCOP)molybdenum(IV) nitride
• Authors of publication: Travis Hebden; Richard Schrock; Michael Takase; Peter Mueller
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1851
• a: 14.3739 ± 0.0007 Å
• b: 14.3739 ± 0.0007 Å
• c: 25.6082 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5290.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No