Information card for entry 1514782

Structure parameters

• Chemical name: 1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne
• Formula: C30 H33 F9 N12 O9 P Pu S4
• Calculated formula: C30 H33 F9 N12 O9 P Pu S4
• SMILES: [Pu]12345(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[N](=Cc6[n]1cccc6)N(P(=S)(N([N]2=Cc1[n]3cccc1)C)N([N]4=Cc1[n]5cccc1)C)C.N#CC.N#CC.N#CC
• Title of publication: Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
• Authors of publication: Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3717
• a: 13.2866 ± 0.0004 Å
• b: 13.3751 ± 0.0005 Å
• c: 13.849 ± 0.0005 Å
• α: 83.93°
• β: 70.156 ± 0.001°
• γ: 80.123 ± 0.001°
• Cell volume: 2277.65 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No