Information card for entry 4086704

Structure parameters

• Formula: C44 H78 O8 P2 Rh2
• Calculated formula: C44 H78 O8 P2 Rh2
• SMILES: [Rh]1234([Rh]([P](C5CCCCC5)(C5CCCCC5)C5CCCCC5)([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O1)C)OC(=[O]4)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Axial Tri-tert-butylphosphane Coordination to Rh2(OAc)4: Synthesis, Structure, and Catalytic Studies
• Authors of publication: Tan, Jiantao; Kuang, Yi; Wang, Yi; Huang, Qingfei; Zhu, Jin; Wang, Yuanhua
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 18
• Pages of publication: 3139
• a: 11.3382 ± 0.0003 Å
• b: 14.2991 ± 0.0004 Å
• c: 16.3895 ± 0.0007 Å
• α: 68.778 ± 0.003°
• β: 79.737 ± 0.003°
• γ: 83.183 ± 0.002°
• Cell volume: 2433.08 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No