Information card for entry 7240113

Structure parameters

• Formula: C16 H30 I4 N4 O2
• Calculated formula: C16 H30 I4 N4 O2
• Title of publication: Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state
• Authors of publication: Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.0705 ± 0.0006 Å
• b: 20.8072 ± 0.0016 Å
• c: 7.8346 ± 0.0006 Å
• α: 90°
• β: 93.907 ± 0.003°
• γ: 90°
• Cell volume: 1312.56 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No