Information card for entry 1548956

Structure parameters

• Formula: C41 H56 Ag F6 N2 O P3
• Calculated formula: C41 H56 Ag F6 N2 O P3
• SMILES: [Ag]12([P](c3c4Oc5c([P]1(C(C)(C)C)C(C)(C)C)cccc5C(c4ccc3)(C)C)(C(C)(C)C)C(C)(C)C)[n]1c(c3[n]2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.
• Authors of publication: Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 375 - 385
• a: 12.3873 ± 0.0009 Å
• b: 12.5363 ± 0.0009 Å
• c: 15.3282 ± 0.0012 Å
• α: 104.142 ± 0.003°
• β: 109.108 ± 0.002°
• γ: 103.339 ± 0.002°
• Cell volume: 2051.8 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0387
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8973
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No