Information card for entry 7219631

Structure parameters

• Common name: 16tBuPcYb
• Chemical name: 16tBuPcYb
• Formula: C157 H204 Cl3 Co N8 O18 P3 Yb
• Calculated formula: C157 H204 Cl3 Co N8 O18 P3 Yb
• Title of publication: Effects of Peripheral Substitutions on the Singlet Oxygen Quantum Yields of Monophthalocyaninato Ytterbium(III) Complexes
• Authors of publication: Zhang, Quanquan; Cheng, Guoe; Ke, Hanzhong; Zhu, Xunjin; Zhu, Nianyong; Wong, Wai-Yeung (Raymond); Wong, Wai-Kwok Rick
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.6111 ± 0.0018 Å
• b: 19.6932 ± 0.0018 Å
• c: 24.446 ± 0.002 Å
• α: 81.59 ± 0.02°
• β: 70.14 ± 0.02°
• γ: 60.83 ± 0.02°
• Cell volume: 7751 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No