Information card for entry 4321247

Structure parameters

• Formula: C30 H48 Mo2 N2 O6
• Calculated formula: C30 H48 Mo1.912 N2 O6
• Title of publication: Dimolybdenum Bis((S,S,S)-triisopropanolaminate(3-)): A Blue Compound with an Unusual Mo-Mo Triple Bond
• Authors of publication: Malcolm H. Chisholm; Ann M. Macintosh; John C. Huffman; Dedong Wu; Ernest R. Davidson; Robin J. H. Clark; Steven Firth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3544 - 3550
• a: 17.389 ± 0.006 Å
• b: 10.843 ± 0.003 Å
• c: 10.463 ± 0.003 Å
• α: 90°
• β: 125.28 ± 0.02°
• γ: 90°
• Cell volume: 1610.5 ± 0.9 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.545
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No