Information card for entry 7103896

Structure parameters

• Common name: (Mo2(DAniF)2)2Cl4(PF6)
• Formula: C60 H60 Cl4 F6 Mo4 N8 O8 P
• Calculated formula: C60 H60 Cl4 F6 Mo4 N8 O8 P
• Title of publication: A mixed-valence compound with one unpaired electron delocalized over four molybdenum atoms in a cyclic tetranuclear ion
• Authors of publication: Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Wang, Xiaoping
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2190 - 2191
• a: 10.8175 ± 0.0008 Å
• b: 13.0151 ± 0.001 Å
• c: 14.2603 ± 0.001 Å
• α: 69.115 ± 0.001°
• β: 68.231 ± 0.001°
• γ: 67.478 ± 0.001°
• Cell volume: 1667.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No