Information card for entry 4331855

Structure parameters

• Formula: C48 H124 N24 O36 Pt4 Tl3
• Calculated formula: C48 H124 N24 O36 Pt4 Tl3
• SMILES: C1(C(C)(C)C)=[NH][Pt]2([NH3])([O]=N(=O)O[Pt]34([NH]=C(C(C)(C)C)O[Tl]564(OC(=[NH]3)C(C)(C)C)OC(=[NH][Pt]6([NH]=C(O5)C(C)(C)C)([NH3])([NH3])[O]=N(O[Pt]34([NH]=C(C(C)(C)C)O[Tl]54(OC(C(C)(C)C)=[NH]3)([O]=N(O5)=O)(ON(=O)=O)[OH]CCOCC)([NH3])[NH3])=O)C(C)(C)C)([NH3])[NH3])([NH]=C(C(C)(C)C)O[Tl]32(O1)([O]=N(=O)O3)(ON(=O)=O)[OH]CCOCC)[NH3].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds
• Authors of publication: Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4526 - 4536
• a: 11.546 ± 0.004 Å
• b: 16.706 ± 0.006 Å
• c: 17.045 ± 0.006 Å
• α: 62.989 ± 0.006°
• β: 75.275 ± 0.006°
• γ: 72.367 ± 0.006°
• Cell volume: 2765.1 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No