Information card for entry 4069634

Structure parameters

• Formula: C33 H31 Cl2 I2 N4 O4 Rh
• Calculated formula: C33 H31 Cl2 I2 N4 O4 Rh
• SMILES: [Rh]12(I)(I)([O]=C(O1)C)=C1N(c3ccccc3N1c1cccc(OC)c1c1c(OC)cccc1N1c3ccccc3N(C=21)C)C.ClCCl
• Title of publication: Synthesis of Chiral Bis(N-heterocyclic carbene) Palladium and Rhodium Complexes with 1,1′-Biphenyl Scaffold and Their Application in Asymmetric Catalysis
• Authors of publication: Liu, Lian-jun; Wang, Feijun; Shi, Min
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4416
• a: 11.8277 ± 0.0009 Å
• b: 16.3081 ± 0.0012 Å
• c: 18.3256 ± 0.0014 Å
• α: 90°
• β: 94.385 ± 0.001°
• γ: 90°
• Cell volume: 3524.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No