Information card for entry 2015276

Structure parameters

• Chemical name: Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]
• Formula: C14 H20 Cu O5
• Calculated formula: C14 H20 Cu O5
• Title of publication: Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]
• Authors of publication: Xu, Denise J.; Pan, Long; Emge, Thomas J.; Huang, Xiaoying; Li, Jing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m150 - m152
• a: 11.8324 ± 0.0008 Å
• b: 7.3549 ± 0.0005 Å
• c: 16.6078 ± 0.0012 Å
• α: 90°
• β: 102.07 ± 0.001°
• γ: 90°
• Cell volume: 1413.36 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.023
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes