Information card for entry 7122546

Structure parameters

• Formula: C42 H41 Cr F15 N11 O5 P2 S
• Calculated formula: C42 H41 Cr F15 N11 O5 P2 S
• Title of publication: Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.
• Authors of publication: Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 94
• Pages of publication: 13228 - 13231
• a: 11.9089 ± 0.0006 Å
• b: 12.6435 ± 0.0008 Å
• c: 19.9341 ± 0.001 Å
• α: 74.089 ± 0.005°
• β: 75.79 ± 0.005°
• γ: 69.487 ± 0.006°
• Cell volume: 2666 ± 0.3 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.0686
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No