Information card for entry 7128272

Structure parameters

• Formula: C36 H26 B Cl2 O6 S16
• Calculated formula: C36 H26 B Cl2 O6 S16
• Title of publication: Chiral metal down to 4.2 K - a BDH-TTP radical-cation salt with spiroboronate anion B(2-chloromandelate)₂<sup/>.
• Authors of publication: Blundell, Toby J.; Brannan, Michael; Nishimoto, Hiroshi; Kadoya, Tomofumi; Yamada, Jun-Ichi; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 44
• Pages of publication: 5406 - 5409
• a: 11.0733 ± 0.0007 Å
• b: 8.0039 ± 0.0004 Å
• c: 24.5775 ± 0.0011 Å
• α: 90°
• β: 99.546 ± 0.005°
• γ: 90°
• Cell volume: 2148.1 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0476
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No