Information card for entry 7127152

Structure parameters

• Chemical name: Zn(hfac)2(aH-PyBTM)2
• Formula: C46 H16 Cl16 F12 N2 O4 Zn
• Calculated formula: C46 H16 Cl16 F12 N2 O4 Zn
• Title of publication: Excimer emission and magnetoluminescence of radical-based zinc(II) complexes doped in host crystals.
• Authors of publication: Kimura, Shun; Kimura, Shojiro; Nishihara, Hiroshi; Kusamoto, Tetsuro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 76
• Pages of publication: 11195 - 11198
• a: 8.9829 ± 0.0006 Å
• b: 15.1174 ± 0.0008 Å
• c: 20.8813 ± 0.0007 Å
• α: 97.411 ± 0.004°
• β: 94.728 ± 0.004°
• γ: 90.909 ± 0.005°
• Cell volume: 2801.4 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No