Information card for entry 1548964

Structure parameters

• Formula: C41 H56 Ag F6 N2 O P3
• Calculated formula: C41 H56 Ag F6 N2 O P3
• SMILES: [n]12[Ag]3([n]4ccccc4c1cccc2)[P](C(C)(C)C)(C(C)(C)C)c1c2Oc4c([P]3(C(C)(C)C)C(C)(C)C)cccc4C(C)(C)c2ccc1.[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: 11.7672 ± 0.0015 Å
• b: 12.0577 ± 0.0015 Å
• c: 14.1541 ± 0.0012 Å
• α: 103.49 ± 0.011°
• β: 108.215 ± 0.01°
• γ: 104.502 ± 0.011°
• Cell volume: 1737.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 4000000 kPa
• 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: 0.1922
• Residual factor for significantly intense reflections: 0.147
• Weighted residual factors for all reflections: 0.238
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9858
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No