Information card for entry 7109197

Structure parameters

• Formula: C31 H58 B2 Cl2 F8 N4 Se
• Calculated formula: C31 H58 B2 Cl2 F8 N4 Se
• SMILES: [Se](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.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 16.003 ± 0.0006 Å
• b: 16.9693 ± 0.0007 Å
• c: 29.6752 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8058.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No