Information card for entry 7116189

Structure parameters

• Formula: C9 H21 Cl6 N2 O W
• Calculated formula: C9 H21 Cl6 N2 O W
• SMILES: C(=O)(N(CC)CC)[NH+](CC)CC.Cl[W](Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: A crystallographically characterized salt of self-generated N-protonated tetraethylurea.
• Authors of publication: Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1323 - 1325
• a: 11.225 ± 0.002 Å
• b: 10.379 ± 0.002 Å
• c: 16.136 ± 0.003 Å
• α: 90°
• β: 90.59 ± 0.002°
• γ: 90°
• Cell volume: 1879.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No