Information card for entry 4080690

Structure parameters

• Formula: C16 H21 K N P S
• Calculated formula: C16 H21 K N P S
• SMILES: [K+].[S-]P(=Cc1nc2ccccc2cc1)(C(C)C)C(C)C
• Title of publication: Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane
• Authors of publication: Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2584
• a: 12.8842 ± 0.0009 Å
• b: 9.9351 ± 0.0007 Å
• c: 13.9787 ± 0.001 Å
• α: 90°
• β: 105.895 ± 0.001°
• γ: 90°
• Cell volume: 1720.9 ± 0.2 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: 0.071
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No