Information card for entry 7010687

Structure parameters

• Formula: C8 H30 Cu2 N4 O15 P4
• Calculated formula: C8 H20 Cu2 N4 O15 P4
• Title of publication: Syntheses, structures and magnetic properties of two copper(Ii) diphosphonates: [NH3(CH2)2NH3]2[Cu2(hedp)2]·H2O and [NH3CH(CH3)CH2NH3]2[Cu2(hedp)2] (hedp = 1-hydroxyethylidenediphosphonate)
• Authors of publication: Song, Hui-Hua; Zheng, Li-Min; Liu, Yong-Jiang; Xin, Xin-Quan; Jacobson, Allan J.; Decurtins, Silvio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3274
• a: 12.2579 ± 0.001 Å
• b: 5.501 ± 0.0004 Å
• c: 16.8746 ± 0.0013 Å
• α: 90°
• β: 101.188 ± 0.001°
• γ: 90°
• Cell volume: 1116.24 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No