Information card for entry 1507959

Structure parameters

• Formula: C40 H30 B Cl F12 P2 Pt S2
• Calculated formula: C40 H30 B Cl F12 P2 Pt S2
• SMILES: [Pt]1([P](CC[S]1c1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1)([P](CCSc1c(c(F)cc(F)c1F)F)(c1ccccc1)c1ccccc1)Cl.[B](F)(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: 16.4546 ± 0.0002 Å
• b: 14.6655 ± 0.0002 Å
• c: 16.651 ± 0.0002 Å
• α: 90°
• β: 92.343 ± 0.001°
• γ: 90°
• Cell volume: 4014.78 ± 0.09 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: 0.0496
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No