Information card for entry 4082546

Structure parameters

• Formula: C18 H15 Cl N P S
• Calculated formula: C18 H15 Cl N P S
• Title of publication: Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids
• Authors of publication: Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 347
• a: 14.5666 ± 0.0008 Å
• b: 22.7231 ± 0.0012 Å
• c: 9.8517 ± 0.0005 Å
• α: 90°
• β: 91.122 ± 0.002°
• γ: 90°
• Cell volume: 3260.3 ± 0.3 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: 0.0488
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No