Information card for entry 7240108

Structure parameters

• Formula: C16 H28 I6 N4 O2 Zn2
• Calculated formula: C16 H28 I6 N4 O2 Zn2
• 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: 7.9785 ± 0.0005 Å
• b: 10.715 ± 0.0007 Å
• c: 10.8206 ± 0.0007 Å
• α: 63.205 ± 0.002°
• β: 73.58 ± 0.002°
• γ: 87.892 ± 0.002°
• Cell volume: 787.59 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.16 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No