Information card for entry 4504123

Structure parameters

• Formula: C5 H17 N2 O12 P4 Zn3
• Calculated formula: C5 H8 N2 O12 P4 Zn3
• Title of publication: Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1134
• a: 28.419 ± 0.005 Å
• b: 8.5688 ± 0.0013 Å
• c: 14.951 ± 0.002 Å
• α: 90°
• β: 100.925 ± 0.002°
• γ: 90°
• Cell volume: 3574.8 ± 1 ų
• Cell temperature: 130.15 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No