Information card for entry 4509115

Structure parameters

• Formula: C12 H12 Cl Cu0.5 N6
• Calculated formula: C12 H12 Cl Cu0.5 N6
• Title of publication: Structural Variations Influenced by Ligand Conformation and Counteranions in Copper(II) Complexes with Flexible Bis-Triazole Ligand
• Authors of publication: Ding, Bin; Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 593
• a: 7.6671 ± 0.0016 Å
• b: 21.327 ± 0.004 Å
• c: 8.5287 ± 0.0018 Å
• α: 90°
• β: 106.559 ± 0.002°
• γ: 90°
• Cell volume: 1336.7 ± 0.5 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: 0.0407
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No