Information card for entry 7028028

Structure parameters

• Formula: C12 H28 Cu15 Na2 O45 P12
• Calculated formula: C2 H4.66 Cu2.5 Na0.333333 O7.5 P2
• Title of publication: Synthesis, crystal structure and magnetic properties of a novel mixed-valence copper phosphonate: Na2Cu15(hedp)6(OH)2(H2O) (hedp = 1-hydroxyethylidenediphosphonate) ‡
• Authors of publication: Zheng, Li-Min; Duan, Chun-Ying; Ye, Xiang-Rong; Zhang, Li-Yi; Wang, Cheng; Xin, Xin-Quan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 6
• Pages of publication: 905
• a: 11.72 ± 0.02 Å
• b: 11.72 ± 0.002 Å
• c: 9.5309 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1133.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections: 0.1659
• Weighted residual factors for significantly intense reflections: 0.1384
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No