Information card for entry 2019150

Structure parameters

• Common name: jonyj40
• Chemical name: Bis(μ-dimethyl phosphito)-κ^2^<i>P</i>:<i>O</i>;κ^2^<i>O</i>:<i>P</i>-bis{methyl[tris(3,5,-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]rhodium(III)}
• Formula: C36 H62 B2 N12 O6 P2 Rh2
• Calculated formula: C36 H62 B2 N12 O6 P2 Rh2
• SMILES: c1(cc(n2[n]1[Rh]13(C)([n]4c(cc(n4[BH]2n2c(cc([n]12)C)C)C)C)O[P](OC)(OC)[Rh]12([n]4c(cc(n4[BH](n4c(cc([n]14)C)C)n1c(cc([n]21)C)C)C)C)(O[P]3(OC)OC)C)C)C
• Title of publication: A tris(pyrazolyl)borate rhodium phosphite complex that undergoes an Arbusov-like rearrangement
• Authors of publication: Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 939 - 942
• a: 10.1383 ± 0.0009 Å
• b: 10.6676 ± 0.001 Å
• c: 13.5193 ± 0.0013 Å
• α: 71.919 ± 0.002°
• β: 88.912 ± 0.002°
• γ: 67.725 ± 0.002°
• Cell volume: 1278.1 ± 0.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes