Information card for entry 8103329

Structure parameters

• Formula: C20 H20 Co N2 O9
• Calculated formula: C20 H20 Co N2 O9
• Title of publication: Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')cobalt(II) hydrate, Co(H2O)3(C8H4O5)(C12H8N2) · H2O
• Authors of publication: Bo Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 125
• a: 7.5748 ± 0.0003 Å
• b: 13.4983 ± 0.0005 Å
• c: 20.5241 ± 0.0007 Å
• α: 90°
• β: 92.585 ± 0.003°
• γ: 90°
• Cell volume: 2096.39 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No