Information card for entry 1507975

Structure parameters

• Formula: C24 H29 Cl2 P Pt S
• Calculated formula: C24 H29 Cl2 P Pt S
• SMILES: [Pt]1(Cl)(Cl)[S](CC[P]1(c1ccccc1)c1ccccc1)C12CC3CC(CC(C1)C3)C2
• 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: 11.897 ± 0.0019 Å
• b: 13.9412 ± 0.0013 Å
• c: 14.7305 ± 0.0016 Å
• α: 90°
• β: 110.2 ± 0.011°
• γ: 90°
• Cell volume: 2292.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0192
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No