Information card for entry 7114709

Structure parameters

• Formula: C8 H20 Cu4 N2 O18 P4
• Calculated formula: C8 H20 Cu4 N2 O18 P4
• Title of publication: Cu4{CH3C(OH)(PO3 )2}2(C4H4N2)(H2O)4: a novel, three-dimensional copper diphosphonate with metamagnetismElectronic supplementary information (ESI) available: views of structure 1, temperature dependence of ac magnetic susceptibility and field dependence of magnetization of 1. See http://www.rsc.org/suppdata/cc/b1/b106780j/
• Authors of publication: Yin, Ping; Zheng, Li-Min; Gao, Song; Xin, Xin-Quan
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 2346
• a: 6.248 ± 0.002 Å
• b: 8.035 ± 0.003 Å
• c: 11.014 ± 0.004 Å
• α: 86.035 ± 0.006°
• β: 87.889 ± 0.006°
• γ: 82.809 ± 0.005°
• Cell volume: 547 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No