Information card for entry 7059409

Structure parameters

• Formula: C10 H19 Cl N2
• Calculated formula: C10 H19 Cl N2
• Title of publication: Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials
• Authors of publication: Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6375 - 6383
• a: 9.0742 ± 0.0003 Å
• b: 10.8811 ± 0.0004 Å
• c: 11.8127 ± 0.0004 Å
• α: 90°
• β: 102.664 ± 0.003°
• γ: 90°
• Cell volume: 1137.98 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No