Information card for entry 7112183

Structure parameters

• Formula: C16 H14 Cu4 O12 P2
• Calculated formula: C16 H14 Cu4 O12 P2
• Title of publication: Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity
• Authors of publication: Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3979
• a: 9.917 ± 0.006 Å
• b: 7.45 ± 0.004 Å
• c: 28.101 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2076 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No