Information card for entry 7114145

Structure parameters

• Formula: C5 H21 N3 O16 P4 Zn3
• Calculated formula: C5 H21 N3 O16 P4 Zn3
• Title of publication: Synthesis of a layered zinc phosphate, [NH3(CH2)2NH2(CH2)3NH3][Zn2(PO4)(HPO4)2]·H2O, and its transformation to a extra-large pore three-dimensional zinc phosphate, [NH3(CH2)2NH2(CH2)3NH3][Zn3(PO4)(HPO4)3]
• Authors of publication: Natarajan, Srinivasan
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 780
• a: 8.4557 ± 0.0002 Å
• b: 9.2844 ± 0.0001 Å
• c: 13.8599 ± 0.0003 Å
• α: 81.114 ± 0.001°
• β: 83.642 ± 0.001°
• γ: 72.626 ± 0.002°
• Cell volume: 1023.57 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.0752
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No