Information card for entry 4311098

Structure parameters

• Common name: sxo53
• Formula: C27 H34 Mo2 N4 O7
• Calculated formula: C24.432 H31 Mo2 N3.998 O6.998
• 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: 30.855 ± 0.004 Å
• b: 11.1126 ± 0.0013 Å
• c: 17.964 ± 0.002 Å
• α: 90°
• β: 105.111 ± 0.002°
• γ: 90°
• Cell volume: 5946.5 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.2299
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No