Information card for entry 4350217

Structure parameters

• Common name: H4(3-OH-salamo) H2O
• Formula: C16 H18 N2 O7
• Calculated formula: C16 H18 N2 O7
• SMILES: c1(c(c(ccc1)O)O)/C=N/OCCO/N=C/c1c(c(ccc1)O)O.O
• Title of publication: Octanuclear zinc(II) and cobalt(II) clusters produced by cooperative tetrameric assembling of oxime chelate ligands.
• Authors of publication: Akine, Shigehisa; Dong, Wenkui; Nabeshima, Tatsuya
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4677 - 4684
• a: 4.6664 ± 0.0008 Å
• b: 24.167 ± 0.005 Å
• c: 14.22 ± 0.003 Å
• α: 90°
• β: 95.926 ± 0.008°
• γ: 90°
• Cell volume: 1595.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1287
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No