Information card for entry 7227469

Structure parameters

• Formula: C17 H14 Fe N11 O3 S0
• Calculated formula: C17 H11 Fe N11 O3
• Title of publication: Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance
• Authors of publication: Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 5578
• a: 22.027 ± 0.004 Å
• b: 7.4504 ± 0.0015 Å
• c: 11.654 ± 0.002 Å
• α: 90°
• β: 90.19 ± 0.03°
• γ: 90°
• Cell volume: 1912.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No