Information card for entry 4081158

Structure parameters

• Formula: C36 H26 Cl5 N3 O6 Rh2
• Calculated formula: C36 H26 Cl5 N3 O6 Rh2
• SMILES: [Rh]12345[Rh]([O]=C(O1)C)([O]=C(O2)C)(OC(=[O]3)C)[n]1c2[n]4c(c3c5cccc3Cl)ccc2c(c2c1nc(cc2)c1ccccc1Cl)c1ccccc1.ClC(Cl)Cl
• Title of publication: Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity
• Authors of publication: Huang, Da-wei; Lo, Ying-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 4009
• a: 8.4304 ± 0.0003 Å
• b: 19.6265 ± 0.0006 Å
• c: 22.0923 ± 0.0008 Å
• α: 90°
• β: 99.117 ± 0.004°
• γ: 90°
• Cell volume: 3609.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No