Information card for entry 4346013

Structure parameters

• Formula: C17 H40 N2 O18 P6 Zn4
• Calculated formula: C17 H39 N2 O18 P6 Zn4
• Title of publication: Rational Design of New Bright Luminescent Zinc Diphosphonates with 12-Member Ring Channels
• Authors of publication: Ruibiao Fu; Xihe Huang; Shengmin Hu; Shengchang Xiang; Xintao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 5254 - 5256
• a: 10.8658 ± 0.0017 Å
• b: 16.605 ± 0.002 Å
• c: 10.3926 ± 0.0016 Å
• α: 90°
• β: 103.965 ± 0.002°
• γ: 90°
• Cell volume: 1819.7 ± 0.5 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: 0.1083
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No