Information card for entry 7031436

Structure parameters

• Formula: C99 H93 Ag B2 F6 N4 O2 P2
• Calculated formula: C99 H93 Ag B2 F6 N4 O2 P2
• SMILES: [B]1(n2c(c(c(c2C(=c2c(c(c([n]12)C)CC)C)c1ccc([P]([Ag]2([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[P](c2ccc(C3=c4c(c(c([n]4[B](n4c3c(c(c4C)CC)C)(c3ccccc3)c3ccccc3)C)CC)C)cc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C)CC)C)(c1ccccc1)c1ccccc1
• 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: 17.8281 ± 0.0006 Å
• b: 16.4975 ± 0.0004 Å
• c: 28.2893 ± 0.0012 Å
• α: 90°
• β: 93.976 ± 0.005°
• γ: 90°
• Cell volume: 8300.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No