Information card for entry 7109198

Structure parameters

• Formula: C32 H56 F6 N4 O6 S3
• Calculated formula: C32 H56 F6 N4 O6 S3
• Title of publication: Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications
• Authors of publication: Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4145
• a: 10.1055 ± 0.0015 Å
• b: 16.1466 ± 0.0018 Å
• c: 25.67 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4188.6 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No