Information card for entry 4338161

Structure parameters

• Formula: C42 H32 Cr2 F6 N12 O6 S2
• Calculated formula: C42 H32 Cr2 F6 N12 O6 S2
• 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: 22.5721 ± 0.0005 Å
• b: 8.806 ± 0.0002 Å
• c: 22.5134 ± 0.0005 Å
• α: 90°
• β: 108.192 ± 0.0014°
• γ: 90°
• Cell volume: 4251.31 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No