Information card for entry 7012538

Structure parameters

• Common name: fac-tris-(N-(pyrolidine)-N'-(2,2- dimethylpropanoyl)thioureato))rhodium(iii)
• Chemical name: fac-tris-(N-(pyrolidine)-N'-(2,2-dimethylpropanoyl)thioureato))rhodium(III)
• Formula: C31 H52 Cl3 N6 O3 Rh S3
• Calculated formula: C31 H52 Cl3 N6 O3 Rh S3
• SMILES: [Rh]123(OC(=NC(=[S]1)N1CCCC1)C(C)(C)C)(OC(=NC(=[S]2)N1CCCC1)C(C)(C)C)OC(=NC(=[S]3)N1CCCC1)C(C)(C)C.C(Cl)(Cl)Cl
• Title of publication: Tailoring hydrophilic N,N-dialkyl-N'-acylthioureas suitable for Pt(II), Pd(II) and Rh(III) chloride pre-concentration from acid aqueous solutions, and their complex separation by reversed-phase HPLC
• Authors of publication: Alpheus N. Mautjana; Jörn D. S. Miller; A. Gie; Susan A. Bourne; Klaus R. Koch
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1952 - 1960
• a: 10.697 ± 0.004 Å
• b: 13.454 ± 0.006 Å
• c: 14.432 ± 0.006 Å
• α: 84.77 ± 0.03°
• β: 89.81 ± 0.03°
• γ: 78.88 ± 0.03°
• Cell volume: 2029.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No