Information card for entry 7706988

Structure parameters

• Formula: C89 H150 Cl9 Cr3 F9 N13 O12 S3
• Calculated formula: C89.0072 H150.003 Cl9.0024 Cr3 F9 N13 O12 S3
• 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: 24.2698 ± 0.0006 Å
• b: 24.2698 ± 0.0006 Å
• c: 11.2278 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5727.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No