Information card for entry 1507972

Structure parameters

• Formula: C16 H25 B10 Cl2 P Pt S
• Calculated formula: C16 H25 B10 Cl2 P Pt S
• SMILES: [Pt]1([S](CC[P]1(c1ccccc1)c1ccccc1)[B]1234[BH]567[CH]89%10[BH]%11%12%13[CH]%14%15%16[BH]%178%11[BH]859[BH]537[BH]%15%178[BH]4%165[BH]2%13%14[BH]16%10%12)(Cl)Cl
• 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: 12.3211 ± 0.0002 Å
• b: 13.5986 ± 0.0002 Å
• c: 14.9381 ± 0.0003 Å
• α: 90°
• β: 110.031 ± 0.001°
• γ: 90°
• Cell volume: 2351.47 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No