Information card for entry 7222471

Structure parameters

• Formula: C28 H20 Co N2 O14
• Calculated formula: C28 H20 Co N2 O14
• SMILES: O1[Co]2([n]3c(C1=O)ccc(c3)c1c(ccc(c1)C(=O)O)C(=O)O)([n]1c(C(=O)O2)ccc(c1)c1c(ccc(c1)C(=O)O)C(=O)O)([OH2])[OH2]
• Title of publication: A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties
• Authors of publication: Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.9118 ± 0.0011 Å
• b: 6.8877 ± 0.0006 Å
• c: 11.8438 ± 0.001 Å
• α: 90°
• β: 105.872 ± 0.009°
• γ: 90°
• Cell volume: 1327.01 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No