Information card for entry 2233509

Structure parameters

• Chemical name: Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine- κ<i>N</i>]chloridocopper(II)} hemihydrate
• Formula: C64 H81 Cl4 Cu2 N8 O4.5
• Calculated formula: C64 H81 Cl4 Cu2 N8 O4.5
• Title of publication: Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine-κ<i>N</i>]chloridocopper(II)} hemihydrate
• Authors of publication: Wang, Ying-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m147
• a: 6.739 ± 0.004 Å
• b: 11.149 ± 0.006 Å
• c: 21.814 ± 0.012 Å
• α: 92.221 ± 0.006°
• β: 95.993 ± 0.008°
• γ: 96.727 ± 0.009°
• Cell volume: 1616.6 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes