Information card for entry 7052152

Structure parameters

• Common name: 10
• Formula: C22 H32 Cl2 Cu N6 O2
• Calculated formula: C22 H32 Cl2 Cu N6 O2
• 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: 12.8579 ± 0.0011 Å
• b: 14.746 ± 0.0013 Å
• c: 13.8823 ± 0.0012 Å
• α: 90°
• β: 98.669 ± 0.002°
• γ: 90°
• Cell volume: 2602 ± 0.4 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No