Information card for entry 4346369

Structure parameters

• Formula: C32 H72 Cu4 O0 P4 Se8
• Calculated formula: C32 H72 Cu4 P4 Se8
• SMILES: C(C)(C)(C)P1([Se]2[Cu]3456[Se]=P(C(C)(C)C)(C(C)(C)C)[Se]7[Cu]8923[Cu]234([Se]=1)[Cu]578([Se]2P(C(C)(C)C)(C(C)(C)C)=[Se]9)[Se]=P(C(C)(C)C)(C(C)(C)C)[Se]63)C(C)(C)C
• Title of publication: Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.
• Authors of publication: Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11625 - 11636
• a: 20.874 ± 0.003 Å
• b: 18.581 ± 0.003 Å
• c: 16.759 ± 0.002 Å
• α: 90°
• β: 112.976 ± 0.002°
• γ: 90°
• Cell volume: 5984.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.048
• 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