Information card for entry 4000028

Structure parameters

• Formula: C4 H68 N6 O22 P4 Zr3
• Calculated formula: C4 N6 O22 P4 Zr2.5
• Title of publication: Nonaqueous Synthesis and Characterization of a Novel Layered Zirconium Phosphate Templated with Mixed Organic and Inorganic Cations
• Authors of publication: Wang, Dan; Yu, Ranbo; Kumada, Nobuhiro; Kinomura, Nobukazu
• Journal of publication: Chemistry of Materials
• Year of publication: 2000
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 956 - 960
• a: 9.383 ± 0.003 Å
• b: 9.923 ± 0.003 Å
• c: 8.342 ± 0.002 Å
• α: 97.85 ± 0.02°
• β: 111.75 ± 0.02°
• γ: 113.01 ± 0.02°
• Cell volume: 627 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.2028
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.0563
• Goodness-of-fit parameter for all reflections: 1.317
• Goodness-of-fit parameter for significantly intense reflections: 1.632
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No