Information card for entry 8102779

Structure parameters

• Chemical name: diaqua[3-hydroxycyclobutane-1,1-dicarboxylato]zinc(II) dihydrate, [Zn(C~6~H~6~O~5~)(H~2~O)~2~].(H~2~O)~2~
• Formula: C6 H14 O9 Zn
• Calculated formula: C6 H14 O9 Zn
• Title of publication: Crystal structure of diaqua(3-hydroxycyclobutane-1,1-dicarboxylato)zinc(II) dihydrate, Zn(H2O)2(C6H6O5) · 2H2O
• Authors of publication: Xi-Zhu Chen; Qing-Song Ye; Ming-Jin Xie; Jia-Lin Chen; Zai-Fu Pan; Xiao-Hong Yang; Wei-Ping Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 517
• a: 7.4328 ± 0.0017 Å
• b: 14.317 ± 0.003 Å
• c: 9.856 ± 0.002 Å
• α: 90°
• β: 107.548 ± 0.003°
• γ: 90°
• Cell volume: 1000 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.087
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No