Information card for entry 4338163

Structure parameters

• Common name: MoW(dpa)4(OTf)2
• Formula: C42 H32 F6 Mo N12 O6 S2 W
• Calculated formula: C42 H32 F6 Mo N12 O6 S2 W
• Title of publication: Oxidative stretching of metal-metal bonds to their limits.
• Authors of publication: Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4777 - 4790
• a: 21.7812 ± 0.0009 Å
• b: 12.7699 ± 0.0005 Å
• c: 17.7974 ± 0.0007 Å
• α: 90°
• β: 120.937 ± 0.003°
• γ: 90°
• Cell volume: 4246 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No