Information card for entry 4341641

Structure parameters

• Formula: C10 H14 Co N4 O8
• Calculated formula: C10 H14 Co N4 O8
• SMILES: [Co]12([n]3cnccc3C(=O)O1)([n]1cnccc1C(=O)O2)([OH2])[OH2].O.O
• Title of publication: Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.
• Authors of publication: Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 241 - 252
• a: 5.5524 ± 0.0005 Å
• b: 7.1608 ± 0.0008 Å
• c: 9.4616 ± 0.0009 Å
• α: 81.68 ± 0.009°
• β: 88.202 ± 0.008°
• γ: 70.571 ± 0.009°
• Cell volume: 350.98 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No