Information card for entry 7111407

Structure parameters

• Formula: C58 H90 O8 P2 Rh2 Si6
• Calculated formula: C58 H82 O8 P2 Rh2 Si6
• SMILES: [Rh]1234([P](c5c([Rh]2([P](c2c4cc([Si](C)(C)C)cc2)(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)([O]=C(O1)C)([O]=C(O3)C)[OH2])cc([Si](C)(C)C)cc5)(c1ccc([Si](C)(C)C)cc1)c1ccc([Si](C)(C)C)cc1)[OH2].O.O
• Title of publication: Enantio- and diastereocontrol in intermolecular cyclopropanation reaction of styrene catalyzed by dirhodium(ii) complexes with bulky ortho-metalated aryl phosphines
• Authors of publication: Estevan, Francisco; Lahuerta, Pascual; Lloret, Julio; Sana�, Mercedes; Ubeda, M. Angeles; Vila, Jaume
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2408 - 2409
• a: 15.01 ± 0.0002 Å
• b: 15.859 ± 0.0001 Å
• c: 16.224 ± 0.0002 Å
• α: 106.069 ± 0.0006°
• β: 92.015 ± 0.0007°
• γ: 94.948 ± 0.0006°
• Cell volume: 3690.26 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No