Information card for entry 4345084

Structure parameters

• Formula: C13.75 H8.25 Co0.25 F5 N O3.5 P0.75 Yb0.25
• Calculated formula: C13.75 H5.5 Co0.25 F5 N O3.5 P0.75 Yb0.25
• Title of publication: Bioinspired Orientation of β-Substituents on Porphyrin Antenna Ligands Switches Ytterbium(III) NIR Emission with Thermosensitivity.
• Authors of publication: Ning, Yingying; Ke, Xian-Sheng; Hu, Ji-Yun; Liu, Yi-Wei; Ma, Fang; Sun, Hao-Ling; Zhang, Jun-Long
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1897 - 1905
• a: 16.3919 ± 0.0011 Å
• b: 23.5424 ± 0.0017 Å
• c: 10.2182 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3943.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No