Information card for entry 4129952

Structure parameters

• Formula: C49 H61 Cl3 N6 Na O6 Rh2
• Calculated formula: C49 H61 Cl2.9998 N6 Na O6 Rh2
• SMILES: c1cccc2C(C)(C)[O]3[Na]456([O]7[Rh]83([n]12)([n]1ccccc1C7(C)C)[n]1ccccc1C(C)(C)[O]48)[O](C(C)(c1[n]2cccc1)C)[Rh]213([O]5C(C)(c2[n]1cccc2)C)[O]6C(C)(c1[n]3cccc1)C.ClC(Cl)Cl.[Cl-]
• 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: 13.569 ± 0.004 Å
• b: 13.569 ± 0.004 Å
• c: 51.339 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8186 ± 4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No