Information card for entry 7705368

Structure parameters

• Formula: C52 H35 Cr F9 N7 O10 S3
• Calculated formula: C52 H35 Cr F9 N7 O10 S3
• SMILES: [Cr]1234([n]5cccc6cccc(c56)c5[n]1c(ccc5)c1cccc5ccc[n]2c15)[n]1cccc2c1c(ccc2)c1[n]3c(cc(OC)c1)c1cccc2ccc[n]4c12.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC
• Title of publication: Luminescent polypyridyl heteroleptic Cr^III complexes with high quantum yields and long excited state lifetimes.
• Authors of publication: Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13528 - 13532
• a: 13.1076 ± 0.0005 Å
• b: 13.846 ± 0.0005 Å
• c: 14.7792 ± 0.0005 Å
• α: 100.865 ± 0.003°
• β: 90.278 ± 0.003°
• γ: 108.118 ± 0.003°
• Cell volume: 2497.76 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1283
• 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: No
• Has Fobs: No