Information card for entry 7031432

Structure parameters

• Formula: C102 H131 B2 Cl6 Cu F6 N5 O P3
• Calculated formula: C102 H131 B2 Cl6 Cu F6 N5 O P3
• SMILES: [Cu]([P](c1ccc(C2=c3[n]([B](n4c2c(c(c4C)CC)C)(c2ccccc2)c2ccccc2)c(c(c3C)CC)C)cc1)(C1CCCCC1)C1CCCCC1)([P](c1ccc(C2=c3[n]([B](n4c2c(c(c4C)CC)C)(c2ccccc2)c2ccccc2)c(c(c3C)CC)C)cc1)(C1CCCCC1)C1CCCCC1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].O(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: (B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.
• Authors of publication: Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13485 - 13499
• a: 11.249 ± 0.0002 Å
• b: 17.1875 ± 0.0004 Å
• c: 26.6167 ± 0.0006 Å
• α: 93.8881 ± 0.0019°
• β: 93.6056 ± 0.0017°
• γ: 92.9238 ± 0.0019°
• Cell volume: 5116.22 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No