Information card for entry 4086873

Structure parameters

• Chemical name: n4-norbornadiene-m2-N,O-[diethyl-N-(2,6-dimethylphenyl)-O-phosphoramidato]rhodium(I) dimer
• Formula: C38 H54 N2 O6 P2 Rh2
• Calculated formula: C38 H54 N2 O6 P2 Rh2
• SMILES: [CH]12=[CH]3[Rh]452([CH]2=[CH]4C1CC32)N(c1c(cccc1C)C)P(=[O][Rh]123([CH]4=[CH]1C1[CH]2=[CH]3C4C1)N(c1c(cccc1C)C)P(=[O]5)(OCC)OCC)(OCC)OCC
• Title of publication: Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand
• Authors of publication: Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 8.841 ± 0.002 Å
• b: 10.217 ± 0.003 Å
• c: 11.455 ± 0.003 Å
• α: 72.949 ± 0.005°
• β: 74.163 ± 0.005°
• γ: 84.457 ± 0.006°
• Cell volume: 951.5 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0243
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No