Information card for entry 7005146

Structure parameters

• Formula: C69 H99 O6 P2 Rh
• Calculated formula: C69 H99 O6 P2 Rh
• SMILES: [Rh]123([P]4(Oc5c2c(O[P]21Oc1c(cc(cc1c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc5)Oc1c(cc(cc1c1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[CH2]=[CH2]3.CCCCC
• Title of publication: Rhodium diphosphite pincer complexes. Rare preferred in-plane olefin conformation in square-planar compounds.
• Authors of publication: Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Alvarez, Eleuterio; Pizzano, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 407 - 409
• a: 17.2239 ± 0.0005 Å
• b: 19.2234 ± 0.0006 Å
• c: 20.3456 ± 0.0006 Å
• α: 90°
• β: 97.705 ± 0.001°
• γ: 90°
• Cell volume: 6675.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No