Information card for entry 1507960

Structure parameters

• Formula: C32 H50 B22 F8 P2 Pt S2
• Calculated formula: C32 H50 B22 F8 P2 Pt S2
• SMILES: [Pt]12([S](CC[P]1(c1ccccc1)c1ccccc1)[B]1345[BH]678[CH]9%10%11[BH]%12%13%14[CH]%15%16%17[BH]%189%12[BH]96%10[BH]648[BH]%16%189[BH]5%176[BH]3%14%15[BH]17%11%13)[S](CC[P]2(c1ccccc1)c1ccccc1)[B]1234[BH]567[CH]89%10[BH]%11%12%13[CH]%14%15%16[BH]%178%11[BH]859[BH]537[BH]%15%178[BH]4%165[BH]2%13%14[BH]16%10%12.[F-][B](F)(F)F.[F-][B](F)(F)F
• Title of publication: A coordination chemistry dichotomy for icosahedral carborane-based ligands.
• Authors of publication: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 590 - 596
• a: 13.2738 ± 0.0006 Å
• b: 18.9981 ± 0.0008 Å
• c: 19.6952 ± 0.0009 Å
• α: 90°
• β: 105.576 ± 0.003°
• γ: 90°
• Cell volume: 4784.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No