Information card for entry 4509076

Structure parameters

• Formula: C21 H18 Cl2 Cu N7 O4
• Calculated formula: C21 H18 Cl2 Cu N7 O4
• Title of publication: Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture
• Authors of publication: Drabent, Krzysztof; Ciunik, Zbigniew
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3367
• a: 11.229 ± 0.002 Å
• b: 13.05 ± 0.003 Å
• c: 31.854 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4667.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No