Information card for entry 7021701

Structure parameters

• Formula: C25 H48 Cl N12 O P4 Rh
• Calculated formula: C25 H48 Cl N12 O P4 Rh
• 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: 9.931 ± 0.005 Å
• b: 14.531 ± 0.007 Å
• c: 10.807 ± 0.005 Å
• α: 90°
• β: 97.59 ± 0.02°
• γ: 90°
• Cell volume: 1545.9 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No