Information card for entry 7109195

Structure parameters

• Formula: C32 H56 F6 N4 O7 S2
• Calculated formula: C32 H56 F6 N4 O7 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O(C1=C(C1=[N+](C(C)C)C(C)C)N(C(C)C)C(C)C)C1=C(N(C(C)C)C(C)C)C1=[N+](C(C)C)C(C)C
• 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: 13.6299 ± 0.0011 Å
• b: 15.6457 ± 0.0013 Å
• c: 18.9753 ± 0.0015 Å
• α: 90°
• β: 101.772 ± 0.002°
• γ: 90°
• Cell volume: 3961.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0481
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No