Information card for entry 7706986

Structure parameters

• Formula: C35 H45 Cl4 Cr F3 N5 O3 S
• Calculated formula: C35 H45 Cl4 Cr F3 N5 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: 9.838 ± 0.002 Å
• b: 13.224 ± 0.004 Å
• c: 17.386 ± 0.004 Å
• α: 93.298 ± 0.016°
• β: 105.918 ± 0.016°
• γ: 107.43 ± 0.016°
• Cell volume: 2051.1 ± 0.9 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: 0.0496
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No