Information card for entry 4120767

Structure parameters

• Formula: C123.03 H114.05 Cl3 N6 O20 P6 Re3
• Calculated formula: C123.021 H114.042 Cl3 N6 O20.007 P6 Re3
• Title of publication: Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties
• Authors of publication: Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13266 - 13269
• a: 13.7098 ± 0.0003 Å
• b: 18.9544 ± 0.0005 Å
• c: 23.9076 ± 0.0007 Å
• α: 88.543 ± 0.0008°
• β: 83.7684 ± 0.0008°
• γ: 83.3082 ± 0.0009°
• Cell volume: 6133.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0863
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No