Information card for entry 1507966

Structure parameters

• Formula: C44 H46 B2 F8 P2 Pt S2
• Calculated formula: C44 H46 B2 F8 P2 Pt S2
• SMILES: [Pt]12([S](CC[P]1(c1ccccc1)c1ccccc1)c1ccc(cc1C)C)[S](CC[P]2(c1ccccc1)c1ccccc1)c1c(cc(cc1)C)C.[B](F)(F)(F)[F-].[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: 12.6691 ± 0.0002 Å
• b: 19.7198 ± 0.0003 Å
• c: 19.9223 ± 0.0003 Å
• α: 93.78 ± 0.001°
• β: 107.622 ± 0.001°
• γ: 100.194 ± 0.001°
• Cell volume: 4630.74 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No