Information card for entry 4306134

Structure parameters

• Formula: C20 H46 Co3 O26
• Calculated formula: C20 H46 Co3 O26
• SMILES: C1(=O)CCCC(=O)[O]2[Co]3456[O]1[Co]([O]4C(=O)CCCC(=O)[O]3[Co]2([OH2])([OH2])([O]=C(CCCC(=O)O)O5)[OH2])([OH2])([OH2])([OH2])[O]=C(CCCC(=O)O)O6.O.O.O.O
• Title of publication: A Family of New Glutarate Compounds: Synthesis, Crystal Structures of: Co(H2O)5L(1), Na2[CoL2] (2), Na2[L(H2L)4/2] (3), {[Co3(H2O)6L2](HL)2}.4H2O (4), {[Co3(H2O)6L2](HL)2}.10H2O (5), {[Co3(H2O)6L2]L2/2}.4H2O (6), and Na2{[Co3(H2O)2]L8/2].6H2O (7), and Magnetic Properties of 1 and 2 with H2L = HOOC-(CH2)3-COOH
• Authors of publication: Yue-Qing Zheng; Jian-Li Lin; Wei Xu; Hong-Zhen Xie; Jie Sun; Xian-Wen Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10280 - 10287
• a: 8.3617 ± 0.0017 Å
• b: 9.455 ± 0.0019 Å
• c: 12.628 ± 0.003 Å
• α: 95.07 ± 0.03°
• β: 107.35 ± 0.03°
• γ: 113.69 ± 0.03°
• Cell volume: 847.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No