Information card for entry 4508637

Structure parameters

• Formula: C10 H52 N8 O18 P4 Zn
• Calculated formula: C10 H52 N8 O18 P4 Zn
• SMILES: C12(C)P(=O)(O[Zn]34([NH2]C(C)(P(=O)(O3)[O-])P(=O)(O4)[O-])([NH2]2)OP1(=O)[O-])[O-].C(C[NH3+])[NH3+].C([NH3+])C[NH3+].O.O.O.C(C[NH3+])[NH3+].O.O.O
• Title of publication: Synthesis, Characterization, and Thermal Study of a T4(2)6(2) Water Tape in a Proton-Transfer Salt Host
• Authors of publication: Li, Ming; Chen, Shuoping; Xiang, Jiangfeng; He, Hanjiang; Yuan, Liangjie; Sun, Jutang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1250
• a: 6.4283 ± 0.0005 Å
• b: 9.0194 ± 0.0007 Å
• c: 13.3567 ± 0.001 Å
• α: 98.279 ± 0.001°
• β: 96.861 ± 0.001°
• γ: 91.559 ± 0.001°
• Cell volume: 760.08 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No