Information card for entry 4134839

Structure parameters

• Formula: C50 H62.5 Fe N1.5 O P2 S4 Si4
• Calculated formula: C50 H62.5 Fe N1.5 O P2 S4 Si4
• Title of publication: Photoinduced NO and HNO Production from Mononuclear {FeNO}⁶ Complex Bearing a Pendant Thiol.
• Authors of publication: Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.0899 ± 0.0003 Å
• b: 35.279 ± 0.0008 Å
• c: 52.6465 ± 0.0012 Å
• α: 90°
• β: 93.8197 ± 0.0005°
• γ: 90°
• Cell volume: 22404.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No