Information card for entry 7204400

Structure parameters

• Chemical name: o-Xylene/Nitrosonium hexachloroantimonate molecular complex 2:1
• Formula: C16 H20 Cl6 N O Sb
• Calculated formula: C16 H20 Cl6 N O Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.c1(ccccc1C)C.c1(ccccc1C)C.[O+]#N
• Title of publication: Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure
• Authors of publication: Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1468
• a: 11.666 ± 0.002 Å
• b: 16.482 ± 0.003 Å
• c: 23.254 ± 0.004 Å
• α: 90°
• β: 91.369 ± 0.004°
• γ: 90°
• Cell volume: 4470 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for all reflections: 0.254
• Weighted residual factors for significantly intense reflections: 0.2419
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No