Information card for entry 7234255

Structure parameters

• Common name: Kat2Mo6Cl14
• Formula: C98 H128 Cl18 Mo6 N6 O4
• Calculated formula: C98 H128 Cl18 Mo6 N6 O4
• Title of publication: Electroswitchable red-NIR luminescence of ionic clustomesogen containing nematic liquid crystalline devices
• Authors of publication: M. Prevot; M. Amela-Cortes; S. K. Manna; S. Cordier; T. Roisnel; H. Folliot; L. Dupont; Y. Molard
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 5152 - 5161
• a: 10.1911 ± 0.0005 Å
• b: 13.6907 ± 0.0006 Å
• c: 21.9162 ± 0.001 Å
• α: 94.608 ± 0.002°
• β: 101.173 ± 0.002°
• γ: 110.389 ± 0.002°
• Cell volume: 2775.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No