Information card for entry 4022367

Structure parameters

• Chemical name: 2,3-bis(2,4,6-trimethyl)phenylbicyclo(2.2)octa-2-ene/ nitrosonium hexafluoroantimonate molecular complex 14 dichloromethane disolvate
• Formula: C28 H36 Cl28 N4 O4 Sb4
• Calculated formula: C28 H36 Cl28 N4 O4 Sb4
• SMILES: c1(c(cc(cc1C)C)C)C1=C(c2c(cc(cc2C)C)C)C2CCC1CC2.N#[O+].N#[O+].C(Cl)Cl.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].N#[O+].N#[O+].C(Cl)Cl.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl.Cl[Sb](Cl)(Cl)(Cl)([Cl-])Cl
• Title of publication: Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics
• Authors of publication: S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 3947 - 3957
• a: 10.87 ± 0.002 Å
• b: 20.407 ± 0.003 Å
• c: 28.548 ± 0.005 Å
• α: 90°
• β: 90 ± 0.004°
• γ: 90°
• Cell volume: 6333 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections: 0.2094
• Weighted residual factors for significantly intense reflections: 0.182
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No