Information card for entry 7206742

Structure parameters

• Formula: C16.5 H27 N3 O17 P4 Zn3
• Calculated formula: C16.5 H15 N3 O17 P4 Zn3
• Title of publication: New zinc diphosphonates with bright tunable luminescence and 12-member ring channels
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6334
• a: 9.646 ± 0.003 Å
• b: 9.41 ± 0.003 Å
• c: 30.929 ± 0.01 Å
• α: 90°
• β: 93.338 ± 0.005°
• γ: 90°
• Cell volume: 2802.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No