Information card for entry 7706987

Structure parameters

• Formula: C41 H62 Cr F3 N4 O3 S
• Calculated formula: C41 H62 Cr F3 N4 O3 S
• Title of publication: A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.
• Authors of publication: Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4936 - 4943
• a: 15.3929 ± 0.0015 Å
• b: 13.5965 ± 0.0012 Å
• c: 22.0346 ± 0.0016 Å
• α: 90°
• β: 109.307 ± 0.006°
• γ: 90°
• Cell volume: 4352.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1353
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No