Information card for entry 7021702

Structure parameters

• Formula: C24 H48 Cl3 N12 P4 Rh
• Calculated formula: C24 H48 Cl3 N12 P4 Rh
• SMILES: C1N2CN3C[P]1(CN(C3)C2)[Rh]([P]12CN3CN(C2)CN(C1)C3)([P]12CN3CN(C2)CN(C1)C3)([P]12CN3CN(C2)CN(C1)C3)(Cl)Cl.[Cl-]
• Title of publication: Isomerisation and controlled condensation in an aqueous medium of allyl alcohol catalysed by new water-soluble rhodium complexes with 1,3,5-triaza-7-phosphaadamantane (PTA).
• Authors of publication: Smoleński, Piotr; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10867 - 10874
• a: 27.2415 ± 0.001 Å
• b: 11.3351 ± 0.0005 Å
• c: 25.7238 ± 0.0011 Å
• α: 90°
• β: 108.583 ± 0.001°
• γ: 90°
• Cell volume: 7529 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No