Information card for entry 4330375

Structure parameters

• Formula: C15 H29 Cl N4 O3
• Calculated formula: C15 H29 Cl N4 O3
• SMILES: [Cl-].O=C(N(CC)CC)Cn1c[n+](cc1)CC(=O)N(CC)CC.O
• Title of publication: Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes
• Authors of publication: Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9873 - 9882
• a: 9.0596 ± 0.0016 Å
• b: 13.386 ± 0.002 Å
• c: 16.786 ± 0.003 Å
• α: 101.061 ± 0.002°
• β: 104.324 ± 0.002°
• γ: 103.491 ± 0.002°
• Cell volume: 1849.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No