Information card for entry 7204175

Structure parameters

• Chemical name: Hexane-1,6-diammonium zinc phosphate hydrogenphosphate boric-acid (1/3/2/1/1)
• Formula: C6 H22 B N2 O15 P3 Zn3
• Calculated formula: C6 H21 B N2 O15 P3 Zn3
• Title of publication: Hydrothermal synthesis and structural characterization of a new layered zincophosphate co-templated by diprotonated 1,6-diaminohexane and orthoboric acid molecules
• Authors of publication: Michael Wiebcke
• Journal of publication: J. Mater. Chem.
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 143 - 147
• a: 12.955 ± 0.001 Å
• b: 8.295 ± 0.001 Å
• c: 18.805 ± 0.002 Å
• α: 90°
• β: 91.34 ± 0.01°
• γ: 90°
• Cell volume: 2020.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.1594
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No