Information card for entry 4309844

Structure parameters

• Formula: C38 H58 F6 N2 O6 S2 Sb2
• Calculated formula: C38 H58 F6 N2 O6 S2 Sb2
• SMILES: O=S(=O)(C(F)(F)F)O[Sb]1N([Sb](N1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy
• Authors of publication: Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8058 - 8064
• a: 11.4948 ± 0.0006 Å
• b: 16.5251 ± 0.0009 Å
• c: 12.0097 ± 0.0007 Å
• α: 90°
• β: 90.1491 ± 0.001°
• γ: 90°
• Cell volume: 2281.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No