Information card for entry 7002815

Structure parameters

• Formula: C80 H66 B Cl F4 O5 P4 Rh2
• Calculated formula: C76 H56 B Cl F4 O4 P4 Rh2
• SMILES: [B](F)(F)(F)[F-].C1(=O)c2c([P](c3ccccc3)(c3ccccc3)[Rh]3451[Cl][Rh]16(C(=O)c7c(cccc7)[P]1(c1ccccc1)c1ccccc1)([O]=C5c1c([P]4(c4ccccc4)c4ccccc4)cccc1)[P](c1c(C6=[O]3)cccc1)(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Selective formation of cis-diacyl, cis-PPh2R rhodium(III) complexes by the reaction of rhodium(III) cis-diacyl, trans-PPh2R complexes with aliphatic diamines
• Authors of publication: Garralda, María A.; Hernández, Ricardo; Pinilla, Elena; Torres, M. Rosario; Zarandona, Malkoa
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9860 - 9869
• a: 17.918 ± 0.002 Å
• b: 18.406 ± 0.002 Å
• c: 20.657 ± 0.002 Å
• α: 90°
• β: 92.365 ± 0.003°
• γ: 90°
• Cell volume: 6806.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No