Information card for entry 4345157

Structure parameters

• Formula: C22.33333 H38.66667 Ag B10 F3 N2 O3.33333 P2 S3
• Calculated formula: C22.3333 H38.6667 Ag B10 F3 N2 O3.33333 P2 S3
• SMILES: O1CCCC1.[Ag]123([P@](Sc4[n]3cccc4)([C]3456[C]789([P@]1(Sc1[n]2cccc1)C(C)(C)C)[BH]12%10[BH]%11%12%13[BH]371[BH]15%13[BH]35%11[BH]7%11%13[BH]48([BH]9%10%11[BH]2%1237)[BH]615%13)C(C)(C)C)OS(=O)(=O)C(F)(F)F.[Ag]123([P@@](Sc4[n]3cccc4)([C]3456[C]789([P@@]1(Sc1[n]2cccc1)C(C)(C)C)[BH]12%10[BH]%11%12%13[BH]371[BH]15%13[BH]35%11[BH]7%11%13[BH]48([BH]9%10%11[BH]2%1237)[BH]615%13)C(C)(C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.
• Authors of publication: Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 292 - 304
• a: 14.7767 ± 0.0006 Å
• b: 14.8998 ± 0.0004 Å
• c: 23.7871 ± 0.0006 Å
• α: 83.519 ± 0.002°
• β: 89.019 ± 0.003°
• γ: 89.103 ± 0.003°
• Cell volume: 5202.5 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No