Information card for entry 7021590

Structure parameters

• Formula: C29 H43 B10 O P S2
• Calculated formula: C29 H43 B10 O P S2
• SMILES: P(=S)([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%13[BH]%145([BH]568[BH]691[BH]%1023[BH]%12%1456)[C]47%11%13SCc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Ethylene polymerization by new chromium catalysts based on carborane [SSO] ligands.
• Authors of publication: Hu, Ping; Qiao, Ya-Lin; Li, Zhen-Hua; Wang, Jian-Qiang; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9089 - 9095
• a: 12.437 ± 0.003 Å
• b: 15.925 ± 0.004 Å
• c: 17.87 ± 0.004 Å
• α: 90°
• β: 101.657 ± 0.004°
• γ: 90°
• Cell volume: 3466.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No