Information card for entry 4322349

Structure parameters

• Formula: C4 H24 Cu3 N2 O18 P4
• Calculated formula: C4 H24 Cu3 N2 O18 P4
• Title of publication: Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
• Authors of publication: Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5061 - 5066
• a: 6.2137 ± 0.0013 Å
• b: 14.7472 ± 0.0015 Å
• c: 11.1802 ± 0.0012 Å
• α: 90°
• β: 105.834 ± 0.015°
• γ: 90°
• Cell volume: 985.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No