Information card for entry 4311097

Structure parameters

• Common name: MSU4S
• Formula: C93 H144 Cl60 Mo6 N12 O21
• Calculated formula: C76.5 H111 Cl27 Mo6 N12 O21
• Title of publication: Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand: Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo2(O2CCMe3)3((NC)2CC(CN)CONH)]\ιnfty
• Authors of publication: Françoise Conan; Benoît Le Gall; Jean-Michel Kerbaol; Sylvie Le Stang; Jean Sala Pala; Yves Le Mest; John Bacsa; Xiang Ouyang; Kim R. Dunbar; Charles F. Campana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3673 - 3681
• a: 46.976 ± 0.002 Å
• b: 46.976 ± 0.002 Å
• c: 22.8013 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43575 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.1581
• Weighted residual factors for significantly intense reflections: 0.3054
• Weighted residual factors for all reflections included in the refinement: 0.315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No