Information card for entry 7122954

Structure parameters

• Formula: C9 H16 Fe N O5 P
• Calculated formula: C9 H16 Fe N O5 P
• Title of publication: Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel
• Authors of publication: Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 18.3354 ± 0.0004 Å
• b: 18.3354 ± 0.0004 Å
• c: 6.1492 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1790.32 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No