Information card for entry 4320239

Structure parameters

• Formula: C9 H30 N2 O16 P4 Zn2
• Calculated formula: C9.04 H28 N2 O16 P4 Zn2
• Title of publication: Zinc Diphosphonates Templated by Organic Amines: Syntheses and Characterizations of [NH3(CH2)2NH3]Zn(hedpH2)2.2H2O and [NH3(CH2)nNH3]Zn2(hedpH)2.2H2O (n= 4, 5, 6) (hedp = 1-Hydroxyethylidenediphosphonate)
• Authors of publication: Hui-Hua Song; Li-Min Zheng; Zheming Wang; Chun-Hua Yan; Xin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5024 - 5029
• a: 5.5251 ± 0.0002 Å
• b: 12.5968 ± 0.0003 Å
• c: 16.1705 ± 0.0005 Å
• α: 90°
• β: 99.1821 ± 0.0016°
• γ: 90°
• Cell volume: 1111.02 ± 0.06 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: 0.0585
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No