Information card for entry 7025814

Structure parameters

• Formula: C90 H76 Cl14 O6 P4 Rh2
• Calculated formula: C90 H76 Cl14 O6 P4 Rh2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Rh]([P](c2ccccc2)(c2ccccc2)c2cc(C)cc3C4(c5cc(cc([P](c6ccccc6)(c6ccccc6)[Rh](C#[O])([P](c6ccccc6)(c6ccccc6)c6c7OC8(Oc9c1cc(cc9C8(c7cc(c6)C)C)C)C)Cl)c5OC4(Oc23)C)C)C)(Cl)C#[O].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: An approach to bimetallic catalysts by ligand design.
• Authors of publication: López-Valbuena, Josep M; Escudero-Adan, Eduardo C; Benet-Buchholz, Jordi; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 36
• Pages of publication: 8560 - 8574
• a: 16.6357 ± 0.0004 Å
• b: 18.7449 ± 0.0005 Å
• c: 14.8117 ± 0.0004 Å
• α: 90°
• β: 100.578 ± 0.001°
• γ: 90°
• Cell volume: 4540.3 ± 0.2 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: 0.0435
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No