Information card for entry 7006768

Structure parameters

• Formula: C56 H80 B Cl6 F4 O2 P2 Rh
• Calculated formula: C56 H80 B Cl6 F4 O2 P2 Rh
• Title of publication: SPANphos: trans-spanning diphosphines as cis chelating ligands!
• Authors of publication: Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 268 - 278
• a: 12.4171 ± 0.0006 Å
• b: 27.9184 ± 0.0014 Å
• c: 17.4627 ± 0.0009 Å
• α: 90°
• β: 104.47 ± 0.001°
• γ: 90°
• Cell volume: 5861.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No