Information card for entry 4084792

Structure parameters

• Common name: Sad348
• Formula: C36 H46 B N4 O2 Rh
• Calculated formula: C36 H46 B N4 O2 Rh
• SMILES: [Rh]1234(c5[n]([B](C6=[N]4C(C)(C)CO6)(C4=NC(C)(C)CO4)c4ccccc4)ccn5c4c(C)cc(C)cc4C)[CH]4CC[CH]3=[CH]2CC[CH]1=4
• Title of publication: Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions
• Authors of publication: Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6840
• a: 13.634 ± 0.005 Å
• b: 12.491 ± 0.005 Å
• c: 20.309 ± 0.007 Å
• α: 90°
• β: 103.771 ± 0.006°
• γ: 90°
• Cell volume: 3359 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No