Information card for entry 2206189

Structure parameters

• Formula: C4 H17 N2 O12 P3 Zn2
• Calculated formula: C4 H17 N2 O12 P3 Zn2
• Title of publication: (C~4~H~12~N~2~)[Zn~2~(PO~4~)(HPO~4~)(H~2~PO~4~)], a layered zinc phosphate with intercalated <i>N</i>-methylpropane-1,3-diaminium cations
• Authors of publication: Zabukovec Logar, Nataša; Rajić, Nevenka; Stojaković, Djordje; Šajić, Sanja; Golobič, Amalija; Kaučič, Venčeslav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1354 - m1356
• a: 11.892 ± 0.0002 Å
• b: 5.1318 ± 0.0001 Å
• c: 12.3063 ± 0.0002 Å
• α: 90°
• β: 98.125 ± 0.001°
• γ: 90°
• Cell volume: 743.48 ± 0.02 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes