Information card for entry 4077197

Structure parameters

• Chemical name: 1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylene / nitrozonium hexachloroantimonate molecular complex 1:1
• Formula: C24 H30 Cl6 N O Sb
• Calculated formula: C24 H30 Cl6 N O Sb
• Title of publication: Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures
• Authors of publication: Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 115
• a: 11.3172 ± 0.0002 Å
• b: 14.0532 ± 0.0003 Å
• c: 17.5608 ± 0.0004 Å
• α: 90°
• β: 101.967 ± 0.001°
• γ: 90°
• Cell volume: 2732.22 ± 0.1 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: 0.0386
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.0567
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No