Information card for entry 7031434

Structure parameters

• Formula: C98 H102 B2 Cu N4 O2 P2
• Calculated formula: C98 H102 B2 Cu N4 O2 P2
• 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: 22.626 ± 0.002 Å
• b: 10.2574 ± 0.0008 Å
• c: 20.8126 ± 0.0019 Å
• α: 90°
• β: 111.403 ± 0.01°
• γ: 90°
• Cell volume: 4497.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No