Information card for entry 4077199

Structure parameters

• Chemical name: 9,10-Dimethoxy-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-anti-dimethanoanthracene nitrozonium hexachloroantimonate complex
• Formula: C18 H22 Cl6 N O3 Sb
• Calculated formula: C18 H22 Cl6 N O3 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].O(c1c2c(c(OC)c3c1[C@@H]1CC[C@H]3C1)[C@H]1CC[C@@H]2C1)C.[O+]#N
• 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: 8.8385 ± 0.0001 Å
• b: 20.9771 ± 0.0002 Å
• c: 12.7867 ± 0.0001 Å
• α: 90°
• β: 91.567 ± 0.001°
• γ: 90°
• Cell volume: 2369.85 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.0739
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No