Information card for entry 7002816

Structure parameters

• Formula: C76 H56 Cl2 O8 P4 Rh2
• Calculated formula: C76 H56 Cl2 O8 P4 Rh2
• SMILES: [Rh]1234([P](c5c(C3=O)cccc5)(c3ccccc3)c3ccccc3)[P](c3c(C4=[O][Rh]45([P](c6c(C4=O)cccc6)(c4ccccc4)c4ccccc4)([P](c4c(C5=[O]1)cccc4)(c1ccccc1)c1ccccc1)[Cl]2)cccc3)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• 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: 20.2966 ± 0.0012 Å
• b: 11.8233 ± 0.0007 Å
• c: 28.379 ± 0.0016 Å
• α: 90°
• β: 98.824 ± 0.001°
• γ: 90°
• Cell volume: 6729.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No