Information card for entry 4065822

Structure parameters

• Formula: C19.5 H23 Cl F6 N3 O4 Rh S2
• Calculated formula: C19.5 H23 Cl F6 N3 O4 Rh S2
• SMILES: [Rh]123456([NH2]CC[c]72[c]3([c]4([c]5([c]67C)C)C)C)N(S(=O)(=O)C(F)(F)F)c2ccccc2N1S(=O)(=O)C(F)(F)F.ClCCl
• Title of publication: Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes
• Authors of publication: Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1886
• a: 16.135 ± 0.005 Å
• b: 17.906 ± 0.006 Å
• c: 17.808 ± 0.006 Å
• α: 90°
• β: 104.503 ± 0.004°
• γ: 90°
• Cell volume: 4981 ± 3 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No