Information card for entry 4022369

Structure parameters

• Chemical name: 1,2,3,4-Tetraphenyl-5,7;6,8-bis(dimethylene)bicyclo(2.2)octa-2-ene/ nitrosonium hexachloroantimonate molecular complex 11, dichloromethane solvate
• Formula: C37.5 H35 Cl9 N O Sb
• Calculated formula: C37.5 H35 Cl9 N O Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[O+]#N.C1(=C(C2([C@H]3[C@H]4C1([C@@H]([C@@H]2CC3)CC4)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.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: 36.694 ± 0.004 Å
• b: 11.8971 ± 0.0012 Å
• c: 21.742 ± 0.002 Å
• α: 90°
• β: 124.507 ± 0.002°
• γ: 90°
• Cell volume: 7821.7 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1219
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No