Information card for entry 7037121

Structure parameters

• Formula: C87 H104 P4 S8 U
• Calculated formula: C87 H104 P4 S8 U
• SMILES: [U]1234([S]=P5(S1)c1cc(ccc1c1ccc(cc51)C(C)(C)C)C(C)(C)C)([S]=P1(S2)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)([S]=P1(S3)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)[S]=P1(S4)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C.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: 17.76 ± 0.003 Å
• b: 19.279 ± 0.004 Å
• c: 25.446 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8713 ± 3 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No