Information card for entry 8102553

Structure parameters

• Formula: C16 H16 N2 O7 S Zn
• Calculated formula: C16 H16 N2 O7 S Zn
• Title of publication: Crystal structure of aqua-(2,2'-bipyridyl)-(2,5-thiophenedicarboxylato)zinc(II) dihydrate, Zn(H2O)(C10H8N2)(C6H2O4S) · 2H2O
• Authors of publication: Qing-Wei Wang; Xiu-Mei Li; Zhan-Lin Xu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 641
• a: 8.5356 ± 0.0007 Å
• b: 9.5342 ± 0.0008 Å
• c: 12.6702 ± 0.0011 Å
• α: 69.377 ± 0.001°
• β: 86.236 ± 0.001°
• γ: 67.666 ± 0.001°
• Cell volume: 889.86 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No