Information card for entry 7234916

Structure parameters

• Formula: C18 H30 Cl4 N4 O
• Calculated formula: C18 H30 Cl4 N4 O
• Title of publication: Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state
• Authors of publication: Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4354
• a: 7.7024 ± 0.0011 Å
• b: 15.716 ± 0.002 Å
• c: 18.368 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2223.5 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No