Information card for entry 7002814

Structure parameters

• Formula: C42 H40 Cl N2 O6 P2 Rh
• Calculated formula: C42 H40 Cl N2 O6 P2 Rh
• SMILES: C1(=O)c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Rh]231(C(=O)c1c(cccc1)[P]3(c1ccccc1)c1ccccc1)[NH](C)CC[NH]2C.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: 15.477 ± 0.0009 Å
• b: 18.9855 ± 0.001 Å
• c: 26.3711 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7748.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No