Information card for entry 7052151

Structure parameters

• Common name: 3
• Formula: C18 H21 Cl2 Cu N5
• Calculated formula: C18 H21 Cl2 Cu N5
• Title of publication: The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles
• Authors of publication: Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 669
• a: 8.59 ± 0.002 Å
• b: 12.854 ± 0.003 Å
• c: 18.163 ± 0.004 Å
• α: 90°
• β: 91.596 ± 0.004°
• γ: 90°
• Cell volume: 2004.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1973
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No