Information card for entry 7126857

Structure parameters

• Formula: C46 H40 N4 O2 S16
• Calculated formula: C46 H40 N4 O2 S16
• Title of publication: Chiral molecular conductor with an insulator-metal transition close to room temperature.
• Authors of publication: Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9497 - 9500
• a: 23.723 ± 0.002 Å
• b: 4.857 ± 0.0005 Å
• c: 11.6968 ± 0.001 Å
• α: 89.841 ± 0.006°
• β: 81.637 ± 0.006°
• γ: 87.168 ± 0.006°
• Cell volume: 1331.8 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2713
• Weighted residual factors for all reflections included in the refinement: 0.3145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No