Information card for entry 4343580

Structure parameters

• Formula: C16 H24 Cl F6 N4 O6 P S2
• Calculated formula: C16 H24 Cl F6 N4 O6 P S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].P(Cl)(c1n(C)c(c(C)[n+]1C)C)c1n(C)c(c(C)[n+]1C)C
• Title of publication: Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.
• Authors of publication: Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6849 - 6861
• a: 14.6089 ± 0.0007 Å
• b: 7.4064 ± 0.0004 Å
• c: 23.5639 ± 0.0011 Å
• α: 90°
• β: 101.021 ± 0.001°
• γ: 90°
• Cell volume: 2502.6 ± 0.2 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No