Information card for entry 1507965

Structure parameters

• Formula: C50 H62 B2 Cl4 F8 P2 Pt S2
• Calculated formula: C49.5 H61 B2 Cl3 F8 P2 Pt S2
• 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: 13.2826 ± 0.0003 Å
• b: 18.4796 ± 0.0004 Å
• c: 23.5694 ± 0.0005 Å
• α: 110.442 ± 0.001°
• β: 99.975 ± 0.001°
• γ: 91.216 ± 0.001°
• Cell volume: 5318 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No