Information card for entry 7705367

Structure parameters

• Formula: C44 H38 Cr F18 N10 P3
• Calculated formula: C44 H38 Cr F18 N10 P3
• SMILES: [Cr]1234([n]5cccc6c5c(ccc6)c5[n]1c(ccc5)c1cccc5c1[n]2ccc5)[n]1ccccc1N(C)c1[n]3c(N(C)c2[n]4cccc2)ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.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: 21.14124 ± 0.00015 Å
• b: 22.83951 ± 0.00017 Å
• c: 20.55852 ± 0.00015 Å
• α: 90°
• β: 90.3997 ± 0.0007°
• γ: 90°
• Cell volume: 9926.55 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No