Information card for entry 4129953

Structure parameters

• Formula: C24 H32 N3 O4 Rh
• Calculated formula: C24 H32 N3 O4 Rh
• SMILES: [Rh]123(OC(c4[n]1cccc4)(C)C)(OC(c1[n]2cccc1)(C)C)OC(c1[n]3cccc1)(C)C.O
• Title of publication: A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.
• Authors of publication: Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15692 - 15695
• a: 8.4392 ± 0.0002 Å
• b: 8.5761 ± 0.0002 Å
• c: 17.2066 ± 0.0012 Å
• α: 77.882 ± 0.006°
• β: 88.868 ± 0.006°
• γ: 74.123 ± 0.005°
• Cell volume: 1170.2 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No