Information card for entry 4082068

Structure parameters

• Formula: C24 H16 F6 N2 O6 S2 Se2
• Calculated formula: C24 H16 F6 N2 O6 S2 Se2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.c12cccc3c(ccc(N([Se]1)C)c23)c1c2cccc3[Se]N(c(cc1)c23)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate
• Authors of publication: Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7275
• a: 21.6378 ± 0.0019 Å
• b: 15.2112 ± 0.0008 Å
• c: 7.9432 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2614.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No