Information card for entry 4334777

Structure parameters

• Formula: C52 H116 Cl2 Cu2 F6 N16 O30 Pt4 Rh2
• Calculated formula: C52 H116 Cl2 Cu2 F6 N16 O30 Pt4 Rh2
• SMILES: C1(C(C)(C)C)=[NH][Pt]2([NH3])([NH3])([NH]=C(C(C)(C)C)O[Cu]342(O1)OC(=[NH][Pt]4([NH3])([NH3])[NH]=C(O3)C(C)(C)C)C(C)(C)C)[Rh]1234[O]=C(O[Rh]4([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O1)C)[Pt]12([NH3])([NH3])[NH]=C(C(C)(C)C)O[Cu]342(OC(C(C)(C)C)=[NH]1)OC(=[NH][Pt]4([NH3])([NH3])[NH]=C(O3)C(C)(C)C)C(C)(C)C)C.FC(F)(F)C(=O)[O-].Cl(=O)(=O)(=O)[O-].O.FC(F)(F)C(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds
• Authors of publication: Kazuhiro Uemura; Masahiro Ebihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5535 - 5550
• a: 22.916 ± 0.003 Å
• b: 12.9623 ± 0.0014 Å
• c: 33.225 ± 0.004 Å
• α: 90°
• β: 105.745 ± 0.0013°
• γ: 90°
• Cell volume: 9499 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No