Information card for entry 4501314

Structure parameters

• Formula: C16 H28 N4 O7 Zn
• Calculated formula: C16 H28 N4 O7 Zn
• Title of publication: Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network
• Authors of publication: Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5475
• a: 6.5568 ± 0.0011 Å
• b: 15.078 ± 0.003 Å
• c: 20.543 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No