Information card for entry 1548957

Structure parameters

• Formula: C31 H52 Cu F6 O3 P3
• Calculated formula: C31 H52 Cu F6 O3 P3
• SMILES: [Cu]12[P](c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].O.O
• 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: 10.6543 ± 0.0008 Å
• b: 11.1834 ± 0.0014 Å
• c: 15.7615 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 44
• Hermann-Mauguin space group symbol: I 2 m m
• Hall space group symbol: I -2 2
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections: 0.1639
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No