Information card for entry 7718579

Structure parameters

• Formula: C36 H20 I0.75 Li N4
• Calculated formula: C36 H20 I0.75 Li N4
• Title of publication: Insulator-metal transition induced by band-filling modulation in molecular Mott insulators.
• Authors of publication: Kaneko, Mayu; Masuda, Masahiro; Teruya, Ryota; Sato, Tetsu; Akutagawa, Tomoyuki; Matsuda, Masaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8331 - 8335
• a: 14.2466 ± 0.0004 Å
• b: 14.2466 ± 0.0004 Å
• c: 6.4808 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1315.38 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 124
• Hermann-Mauguin space group symbol: P 4/m c c
• Hall space group symbol: -P 4 2c
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No