Information card for entry 4306555

Structure parameters

• Formula: C27 H34 Cr F3 N4 O3 S
• Calculated formula: C27 H34 Cr F3 N4 O3 S
• Title of publication: Emissive Chromium(III) Complexes with Substituted Arylethynyl Ligands
• Authors of publication: David L. Grisenti; W. Walsh Thomas; Christopher R. Turlington; Matthew D. Newsom; Christopher J. Priedemann; Donald G. VanDerveer; Paul S. Wagenknecht
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11452 - 11454
• a: 15.62 ± 0.003 Å
• b: 11.886 ± 0.002 Å
• c: 22.794 ± 0.005 Å
• α: 90°
• β: 96.88 ± 0.03°
• γ: 90°
• Cell volume: 4201.4 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No