Information card for entry 2203689

Structure parameters

• Chemical name: Bis[bis(2-pyridyl)methanediol-κ^3^N,N',O]copper(II) bis(adamantane-1-carboxylate)
• Formula: C44 H50 Cu N4 O8
• Calculated formula: C44 H50 Cu N4 O8
• SMILES: [O-]C(=O)C12CC3CC(C1)CC(C2)C3.[Cu]1234([n]5ccccc5C(c5cccc[n]15)([OH]3)O)[n]1ccccc1C(c1cccc[n]21)([OH]4)O.O=C([O-])C12CC3CC(C1)CC(C2)C3
• Title of publication: Bis[bis(2-pyridyl)methanediol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) bis(adamantane-1-carboxylate)
• Authors of publication: Tong, Ming-Liang; Zhou, Ai-Ju; Hu, Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m657 - m658
• a: 24.947 ± 0.005 Å
• b: 11.5988 ± 0.0017 Å
• c: 15.284 ± 0.003 Å
• α: 90°
• β: 118.576 ± 0.003°
• γ: 90°
• Cell volume: 3883.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes