Information card for entry 7131649

Structure parameters

• Formula: C42 H50 Fe N4 S6
• Calculated formula: C42 H50 Fe N4 S6
• Title of publication: Thiophenol-spaced 2D coordination polymers with extraordinary alkali resistance and efficient photothermal conversion.
• Authors of publication: Hou, Qin; Chen, Li-Jun; He, Jing; Chen, Er-Xia; Wang, Bo; Zhou, Xuechou; Dai, Yumei; He, Liang; Lin, Qipu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 46
• Pages of publication: 7072 - 7075
• a: 16.9805 ± 0.0008 Å
• b: 16.3895 ± 0.0005 Å
• c: 17.0828 ± 0.0008 Å
• α: 90°
• β: 116.751 ± 0.006°
• γ: 90°
• Cell volume: 4245.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No