Information card for entry 4104418

Structure parameters

• Formula: C2 H6 Cl Co0.5 O2
• Calculated formula: C2 H6 Cl Co0.5 O2
• Title of publication: Crystal-to-Crystal Transformation from Antiferromagnetic Chains into a Ferromagnetic Diamondoid Framework
• Authors of publication: Zhiming Duan; Yan Zhang; Bin Zhang; Daoben Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6934 - 6935
• a: 6.859 ± 0.0002 Å
• b: 9.1904 ± 0.0003 Å
• c: 8.0991 ± 0.0003 Å
• α: 90°
• β: 114.854 ± 0.001°
• γ: 90°
• Cell volume: 463.26 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No