Information card for entry 4134843

Structure parameters

• Formula: C27 H36 Mn N O P S3 Si3
• Calculated formula: C27 H36 Mn N O P S3 Si3
• SMILES: [Mn]123(Sc4c([P]3(c3cccc([Si](C)(C)C)c3S1)c1cccc([Si](C)(C)C)c1S2)cccc4[Si](C)(C)C)N=O
• 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: 11.2716 ± 0.0003 Å
• b: 14.8244 ± 0.0004 Å
• c: 19.6616 ± 0.0006 Å
• α: 90°
• β: 90.5417 ± 0.0009°
• γ: 90°
• Cell volume: 3285.2 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No