Information card for entry 7103895

Structure parameters

• Common name: (Mo2(DAniF)2)2Cl4,2CH2Cl2
• Formula: C62 H64 Cl8 Mo4 N8 O8
• Calculated formula: C62 H64 Cl8 Mo4 N8 O8
• 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: 11.7836 ± 0.0007 Å
• b: 12.3312 ± 0.0007 Å
• c: 23.8669 ± 0.0014 Å
• α: 90°
• β: 98.773 ± 0.001°
• γ: 90°
• Cell volume: 3427.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0857
• 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