Information card for entry 4345823

Structure parameters

• Formula: C35 H39 B Cu F4 N2 O P
• Calculated formula: C35 H39 B Cu F4 N2 O P
• SMILES: [Cu]([P](c1c(cccc1)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[B](F)(F)(F)[F-]
• Title of publication: Emission Tuning of Luminescent Copper(I) Complexes by Vapor-Induced Ligand Exchange Reactions.
• Authors of publication: Hasegawa, Tatsuya; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Kato, Masako
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4928 - 4936
• a: 10.69 ± 0.003 Å
• b: 16.365 ± 0.004 Å
• c: 18.851 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3297.8 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No