Information card for entry 4317622

Structure parameters

• Formula: C80 H181 Mo18 N5 O64 S2
• Calculated formula: C80 H152 Mo18 N4.5 O64 S2
• Title of publication: Electrochemical, Spectroscopic, Structural, and Magnetic Characterization of the Reduced and Protonated α-Dawson Anions in [Fe(η5-C5Me5)2]5[HS2Mo18O62].3HCONMe2.2Et2O and [NBu4]5[HS2Mo18O62].2H2O1
• Authors of publication: Suzy Juraja; Truc Vu; Peter J. S. Richardt; Alan M. Bond; Terence J. Cardwell; John D. Cashion; Gary D. Fallon; Georgii Lazarev; Boujemaa Moubaraki; Keith S. Murray; Anthony G. Wedd
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1072 - 1078
• a: 25.1255 ± 0.0003 Å
• b: 15.411 ± 0.0002 Å
• c: 35.8646 ± 0.0004 Å
• α: 90°
• β: 105.938 ± 0.0004°
• γ: 90°
• Cell volume: 13353.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections: 1.338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.513
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No