Information card for entry 8104716

Structure parameters

• Formula: C36 H60 Cl2 Cu N12
• Calculated formula: C36 H60 Cl2 Cu N12
• Title of publication: The crystal structure of hexakis(1-propylimidazole-κ1 N)copper(II) dichloride, C36H60Cl2CuN12
• Authors of publication: He, Qingpeng; Liu, Gang; Xue, Zechun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 799 - 801
• a: 8.3112 ± 0.0002 Å
• b: 15.9513 ± 0.0004 Å
• c: 17.1068 ± 0.0004 Å
• α: 90°
• β: 99.671 ± 0.002°
• γ: 90°
• Cell volume: 2235.69 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No