Information card for entry 7214379

Structure parameters

• Formula: C92 H124 N12 O40 P6 Zn9
• Calculated formula: C92 H104 N12 O40 P6 Zn9
• Title of publication: New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5387
• a: 14.909 ± 0.005 Å
• b: 18.496 ± 0.006 Å
• c: 21.715 ± 0.007 Å
• α: 90°
• β: 99.53 ± 0.005°
• γ: 90°
• Cell volume: 5905 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No