Information card for entry 7126795

Structure parameters

• Formula: C30 H32 B Cl Cu N3 P2
• Calculated formula: C30 H32 B Cl Cu N3 P2
• SMILES: [Cu]1(Cl)[P](N2CCCN3CCCN([P]1(c1ccccc1)c1ccccc1)B23)(c1ccccc1)c1ccccc1
• Title of publication: Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.
• Authors of publication: Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9110 - 9113
• a: 12.4036 ± 0.0012 Å
• b: 19.0304 ± 0.0019 Å
• c: 12.5089 ± 0.0013 Å
• α: 90°
• β: 105.131 ± 0.005°
• γ: 90°
• Cell volume: 2850.3 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No