Information card for entry 4304444

Structure parameters

• Common name: [Mo2(DAniF)3]2(squarate)(TFPB)2
• Formula: C164.5 H128 B2 Cl7 F48 Mo4 N12 O16
• Calculated formula: C164.5 H128 B2 Cl7 F48 Mo4 N12 O16
• Title of publication: Very Large Difference in Electronic Communication of Dimetal Species with Heterobiphenylene and Heteroanthracene Units
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Mark D. Young; Rongmin Yu; Qinliang Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 219 - 229
• a: 19.639 ± 0.005 Å
• b: 20.531 ± 0.005 Å
• c: 25.398 ± 0.006 Å
• α: 72.175 ± 0.004°
• β: 75.608 ± 0.004°
• γ: 67.363 ± 0.004°
• Cell volume: 8898 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No