Information card for entry 1514421

Structure parameters

• Formula: C80 H114 N8 O8 S4 Yb2
• Calculated formula: C80 H114 N8 O8 S4 Yb2
• Title of publication: An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies
• Authors of publication: Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 747
• a: 11.3252 ± 0.0004 Å
• b: 14.7748 ± 0.0005 Å
• c: 24.3057 ± 0.0008 Å
• α: 90°
• β: 90.686 ± 0.002°
• γ: 90°
• Cell volume: 4066.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No