Information card for entry 4022370

Structure parameters

• Chemical name: cis-1,2-Diethyl-1,2-bis(pentamethylphenyl)ethylene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane hemisolvate
• Formula: C28.5 H41 Cl13 N2 O2 Sb2
• Calculated formula: C28.5 H41 Cl13 N2 O2 Sb2
• 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: 19.4836 ± 0.0008 Å
• b: 13.9952 ± 0.0006 Å
• c: 32.7838 ± 0.0014 Å
• α: 90°
• β: 98.837 ± 0.001°
• γ: 90°
• Cell volume: 8833.3 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1385
• Weighted residual factors for significantly intense reflections: 0.0995
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No