Information card for entry 7711666

Structure parameters

• Formula: C62 H44 Cr5 N22 S2
• Calculated formula: C62 H44 Cr5 N22 S2
• Title of publication: The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven
• Authors of publication: Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.2426 ± 0.0003 Å
• b: 26.2039 ± 0.0007 Å
• c: 15.2056 ± 0.0003 Å
• α: 90°
• β: 90.006 ± 0.001°
• γ: 90°
• Cell volume: 6073.4 ± 0.2 ų
• Cell temperature: 291.8 K
• Ambient diffraction temperature: 291.8 K
• Number of distinct elements: 5
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1159
• 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
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No