Information card for entry 4111387

Structure parameters

• Formula: C116.35 H112.7 B Cl0.7 Cu F4 N12 O2
• Calculated formula: C116.355 H112.71 B Cl0.71 Cu F4 N12 O2
• Title of publication: Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper
• Authors of publication: Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 490 - 491
• a: 26.157 ± 0.003 Å
• b: 15.602 ± 0.003 Å
• c: 27.03 ± 0.004 Å
• α: 90°
• β: 115.301 ± 0.007°
• γ: 90°
• Cell volume: 9973 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2746
• Weighted residual factors for all reflections included in the refinement: 0.3132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.3282 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No