Information card for entry 4127066

Structure parameters

• Formula: C46 H64 Cl2 O2 P4 Rh2
• Calculated formula: C46 H64 Cl2 O2 P4 Rh2
• SMILES: c12cccc3c1Oc1c(C3(C)C)cccc1[P]([Rh]1([P]2(CC)CC)[Cl][Rh]2([P](c3cccc4c3Oc3c(C4(C)C)cccc3[P]2(CC)CC)(CC)CC)[Cl]1)(CC)CC
• Title of publication: Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.
• Authors of publication: Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 10.0314 ± 0.0003 Å
• b: 10.5096 ± 0.0003 Å
• c: 12.0652 ± 0.0004 Å
• α: 107.493 ± 0.0015°
• β: 98.9909 ± 0.0014°
• γ: 100.227 ± 0.0013°
• Cell volume: 1163.72 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No