Information card for entry 4338168

Structure parameters

• Common name: MoW(dpa)4(OTf)
• Formula: C41 H32 F3 Mo N12 O3 S W
• Calculated formula: C41 H32 F3 Mo N12 O3 S 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: 16.5234 ± 0.0008 Å
• b: 8.7975 ± 0.0005 Å
• c: 27.9784 ± 0.0013 Å
• α: 90°
• β: 104.553 ± 0.003°
• γ: 90°
• Cell volume: 3936.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No