Information card for entry 7037116

Structure parameters

• Formula: C53 H48 N2 P3 Pu S6
• Calculated formula: C53 H48 N2 P3 Pu S6
• SMILES: [Pu]123([S]=P(S1)(c1ccccc1)c1ccccc1)([S]=P(S2)(c1ccccc1)c1ccccc1)([S]=P(S3)(c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1.c1(ccccc1)C
• Title of publication: Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.
• Authors of publication: Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18923 - 18936
• a: 11.77 ± 0.002 Å
• b: 14.808 ± 0.003 Å
• c: 16.972 ± 0.003 Å
• α: 79.148 ± 0.002°
• β: 70.433 ± 0.002°
• γ: 69.036 ± 0.002°
• Cell volume: 2594.8 ± 0.8 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.0524
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No