Information card for entry 7002813

Structure parameters

• Formula: C42 H40 Cl N2 O6 P2 Rh
• Calculated formula: C42 H40 Cl N2 O6 P2 Rh
• SMILES: [N]1([Rh]23([NH2]CC1)([P](c1c(C2=O)cccc1)(c1ccccc1)c1ccccc1)[P](c1c(C3=O)cccc1)(c1ccccc1)c1ccccc1)(C)C.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: 12.0986 ± 0.0007 Å
• b: 15.6187 ± 0.0009 Å
• c: 20.8399 ± 0.0013 Å
• α: 90°
• β: 99.823 ± 0.001°
• γ: 90°
• Cell volume: 3880.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No