Information card for entry 1507961

Structure parameters

• Formula: C69 H110 B44 Cl10 F16 P4 Pt2 S4
• Calculated formula: C69 H110 B44 Cl10 F16 P4 Pt2 S4
• SMILES: [Pt]12([S]([C]3456[BH]789[CH]%10%11%12[BH]%1337[BH]374[BH]4%145[BH]568[BH]68%14[BH]%1474[BH]%10%133[BH]%128%14[BH]9%1156)CC[P]1(c1ccccc1)c1ccccc1)[S](CC[P]2(c1ccccc1)c1ccccc1)[C]1234[BH]567[CH]89%10[BH]%1115[BH]152[BH]2%123[BH]346[BH]46%12[BH]%1252[BH]8%111[BH]%106%12[BH]7934.ClCCl.ClCCl.[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: 13.1494 ± 0.0004 Å
• b: 36.1583 ± 0.0011 Å
• c: 23.7534 ± 0.0007 Å
• α: 90°
• β: 95.836 ± 0.002°
• γ: 90°
• Cell volume: 11235.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No