Information card for entry 4114286

Structure parameters

• Common name: [Mo2(DAniF)3]2Zn(OCH3)3(OH)(PF6)2,3.44(CH2Cl2)
• Formula: C96.44 H109.88 Cl6.88 F12 Mo4 N12 O16 P2 Zn
• Calculated formula: C96.44 H96 Cl6.881 F12 Mo4 N12 O16 P2 Zn
• Title of publication: Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion
• Authors of publication: F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12945 - 12952
• a: 34.4726 ± 0.0015 Å
• b: 15.2086 ± 0.0007 Å
• c: 44.285 ± 0.002 Å
• α: 90°
• β: 105.497 ± 0.001°
• γ: 90°
• Cell volume: 22373.6 ± 1.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No