Information card for entry 1548955

Structure parameters

• Formula: C41 H56 Cu F6 N2 O P3
• Calculated formula: C41 H56 Cu F6 N2 O P3
• SMILES: [Cu]123([P](C(C)(C)C)(c4c5[O]1c1c([P]2(C(C)(C)C)C(C)(C)C)cccc1C(c5ccc4)(C)C)C(C)(C)C)[n]1c(cccc1)c1[n]3cccc1.[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: 12.2247 ± 0.001 Å
• b: 15.0283 ± 0.0012 Å
• c: 22.5879 ± 0.0019 Å
• α: 90°
• β: 98.452 ± 0.003°
• γ: 90°
• Cell volume: 4104.7 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0796
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No