Information card for entry 8102561

Structure parameters

• Chemical name: monoaqua-(5- bromoisophthalic acid)(1,2-bi(4-pyridyl) ethane)zinc(II), [Zn(C~8~H~3~O~4~Br)(C~12~H~12~N~2~)(H~2~O)]
• Formula: C20 H17 Br N2 O5 Zn
• Calculated formula: C20 H17 Br N2 O5 Zn
• Title of publication: Crystal structure of monoaqua-(5-bromoisophthalato)-(1,2-bi(4-pyridyl)ethane)zinc(II), Zn(H2O)(C8H3O4Br)(C12H12N2)
• Authors of publication: Hui-Ling Li; Yu-Ting Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 683
• a: 8.036 ± 0.005 Å
• b: 9.673 ± 0.006 Å
• c: 14.549 ± 0.009 Å
• α: 105.706 ± 0.007°
• β: 90.431 ± 0.007°
• γ: 114.255 ± 0.007°
• Cell volume: 983.5 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No