Information card for entry 4333168

Structure parameters

• Formula: C22.5 H41 B Cl N7 S6
• Calculated formula: C22.4497 H40.728 B Cl1.0708 N7 S6
• Title of publication: Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains
• Authors of publication: Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10998 - 11007
• a: 12.625 ± 0.003 Å
• b: 14.572 ± 0.003 Å
• c: 17.372 ± 0.004 Å
• α: 93.738 ± 0.003°
• β: 92.858 ± 0.003°
• γ: 92.297 ± 0.003°
• Cell volume: 3182.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No