Information card for entry 4022368

Structure parameters

• Chemical name: 9,10-Ethano-9,10-dihydro-1,2,3,4,5,6,7,8-octahydroanthracene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane monosolvate
• Formula: C25 H32 Cl14 N2 O2 Sb2
• Calculated formula: C25 H32 Cl14 N2 O2 Sb2
• SMILES: [Sb](Cl)(Cl)(Cl)([Cl-])(Cl)Cl.[Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.N#[O+].N#[O+].C12CCC(c3c(c(c(c(c13)C)C)C)C)c1c(c(c(c(c21)C)C)C)C.ClCCl
• 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: 10.8602 ± 0.0005 Å
• b: 13.1116 ± 0.0006 Å
• c: 14.8897 ± 0.0006 Å
• α: 77.221 ± 0.001°
• β: 83.298 ± 0.001°
• γ: 81.585 ± 0.001°
• Cell volume: 2037.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.0902
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No