Information card for entry 4334773

Structure parameters

• Formula: C20 H52 Cu F12 N8 O4 P2 Pt2
• Calculated formula: C20 H52 Cu F12 N8 O4 P2 Pt2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[NH3][Pt]12([NH]=C(C(C)(C)C)O[Cu]342(OC(C(C)(C)C)=[NH]1)OC(C(C)(C)C)=[NH][Pt]4([NH3])([NH3])[NH]=C(C(C)(C)C)O3)[NH3].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.749 ± 0.003 Å
• b: 16.038 ± 0.004 Å
• c: 12.657 ± 0.003 Å
• α: 90°
• β: 108.939 ± 0.003°
• γ: 90°
• Cell volume: 2063.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No