Information card for entry 4134841

Structure parameters

• Formula: C49 H64 Cl2 Fe P2 S4 Si4
• Calculated formula: C49 H60 Cl2 Fe 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: 11.1747 ± 0.0005 Å
• b: 17.9172 ± 0.0007 Å
• c: 27.6759 ± 0.0012 Å
• α: 90°
• β: 99.7297 ± 0.0011°
• γ: 90°
• Cell volume: 5461.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No