Information card for entry 7006316

Structure parameters

• Formula: C31.5 H34 I2 O2 P2 Rh
• Calculated formula: C31.5 H34 I2 O2 P2 Rh
• Title of publication: Evaluation of C4 diphosphine ligands in rhodium catalysed methanol carbonylation under a syngas atmosphere: synthesis, structure, stability and reactivity of rhodium(I) carbonyl and rhodium(III) acetyl intermediates.
• Authors of publication: Lamb, Gareth; Clarke, Matthew; Slawin, Alexandra M. Z.; Williams, Bruce; Key, Lesley
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5582 - 5589
• a: 21.54 ± 0.004 Å
• b: 8.1514 ± 0.0014 Å
• c: 18.908 ± 0.004 Å
• α: 90°
• β: 96.662 ± 0.003°
• γ: 90°
• Cell volume: 3297.5 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No