Information card for entry 7006770

Structure parameters

• Formula: C51 H78 Cl2 O2 P2 Rh2
• Calculated formula: C51 H78 Cl2 O2 P2 Rh2
• SMILES: [Rh]123([P](c4cc(cc5C(CC6(Oc45)Oc4c(C(C6)(C)C)cc(cc4[P]([Rh]456(Cl)[CH]7=[CH]4CC[CH]5=[CH]6CC7)(C(C)C)C(C)C)C)(C)C)C)(C(C)C)C(C)C)(Cl)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• 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: 12.386 ± 0.0015 Å
• b: 18.114 ± 0.002 Å
• c: 21.617 ± 0.003 Å
• α: 90°
• β: 97.392 ± 0.004°
• γ: 90°
• Cell volume: 4809.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No