Information card for entry 4114705

Structure parameters

• Common name: bis-acetato-bis-xylylformamidinato-bis- oxodimolybdenum(IV) chloroform solvate
• Chemical name: trans-di-η^2^-acetato-di-μ~2~-oxobis (μ~2~-N,N'-di-(2,6-xylylformamidinato) dimolybdenum(IV) chloroform solvate'
• Formula: C39.93 H45.93 Cl5.8 Mo2 N4 O6
• Calculated formula: C39.932 H45.932 Cl5.796 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: 16.8232 ± 0.0014 Å
• b: 14.517 ± 0.0012 Å
• c: 20.3207 ± 0.0017 Å
• α: 90 ± 0.002°
• β: 110.245 ± 0.001°
• γ: 90 ± 0.002°
• Cell volume: 4656.2 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No