Information card for entry 4338162

Structure parameters

• Formula: C42 H32 F6 Mo2 N12 O6 S2
• Calculated formula: C42 H32 F6 Mo2 N12 O6 S2
• SMILES: c1cccc2[n]1[Mo]13456[n]7ccccc7N1c1[n](cccc1)[Mo]173(N2c2cccc[n]12)(N(c1cccc[n]41)c1cccc[n]71)[n]1c(N6c2[n]5cccc2)cccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• 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: 21.8793 ± 0.0006 Å
• b: 12.7419 ± 0.0004 Å
• c: 17.789 ± 0.0005 Å
• α: 90°
• β: 120.994 ± 0.001°
• γ: 90°
• Cell volume: 4251.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0188
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No