Information card for entry 7005147

Structure parameters

• Formula: C56 H71 O6 P2 Rh
• Calculated formula: C56 H71 O6 P2 Rh
• SMILES: [Rh]123([P]4(Oc5c2c(O[P]21Oc1c(cc(c(c1c1c(O2)c(cc(c1C)C)C(C)(C)C)C)C)C(C)(C)C)ccc5)Oc1c(cc(c(c1c1c(O4)c(cc(c1C)C)C(C)(C)C)C)C)C(C)(C)C)[CH2]=[CH2]3
• 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: 10.4092 ± 0.0011 Å
• b: 18.8544 ± 0.0018 Å
• c: 26.636 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5227.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No