Information card for entry 7212259

Structure parameters

• Formula: C12 H26 N4 O12 P4 Zn3
• Calculated formula: C12 H26 N4 O12 P4 Zn3
• Title of publication: Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density
• Authors of publication: Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1401
• a: 11.224 ± 0.0015 Å
• b: 14.354 ± 0.0019 Å
• c: 16.709 ± 0.002 Å
• α: 90°
• β: 109.33 ± 0.002°
• γ: 90°
• Cell volume: 2540.2 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No