Information card for entry 7706984

Structure parameters

• Formula: C30 H53 Cl Cr F3 N4 O4 S
• Calculated formula: C30.0018 H53.0044 Cl1.0001 Cr1.0001 F3 N4.0004 O4.0002 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: 11.3221 ± 0.0005 Å
• b: 13.1665 ± 0.0006 Å
• c: 14.2387 ± 0.0007 Å
• α: 64.22 ± 0.002°
• β: 69.482 ± 0.003°
• γ: 72.759 ± 0.003°
• Cell volume: 1763.82 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No