Information card for entry 4343579

Structure parameters

• Formula: C28 H34 Cl2 F3 N8 O3 P S
• Calculated formula: C28 H34 Cl2 F3 N8 O3 P S
• SMILES: Clc1[n+](c2c(cccc2C(C)C)C(C)C)c(P(N=N#N)N=N#N)n(c2c(cccc2C(C)C)C(C)C)c1Cl.O=S(=O)([O-])C(F)(F)F
• 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: 11.7429 ± 0.0005 Å
• b: 18.0557 ± 0.0008 Å
• c: 16.0631 ± 0.0007 Å
• α: 90°
• β: 101.283 ± 0.004°
• γ: 90°
• Cell volume: 3340 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1294
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.2994
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No