Information card for entry 4114704

Structure parameters

• Common name: bis-acetato-bis-xylylformamidinato-bis-oxodimolybdenum(IV)
• Chemical name: trans-di-η^2^-acetato-di-μ~2~-oxobis (μ~2~-N,N'-di-(2,6-xylylformamidinato) dimolybdenum(IV)
• Formula: C38 H45 Mo2 N4 O6
• Calculated formula: C38 H45 Mo2 N4 O6
• Title of publication: A Pseudo-Jahn-Teller Distortion in an Mo2(μ2-O)2 Ring Having the Shortest MoIV-MoIV Double Bond
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; J. Garrett Slaton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2878 - 2879
• a: 10.9617 ± 0.0006 Å
• b: 11.7084 ± 0.0007 Å
• c: 15.7064 ± 0.0009 Å
• α: 90.159 ± 0.001°
• β: 109.177 ± 0.001°
• γ: 98.745 ± 0.001°
• Cell volume: 1878.82 ± 0.19 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No