Information card for entry 7028103

Structure parameters

• Formula: C58 H86 Co2 Er2 N4 O22
• Calculated formula: C58 H86 Co2 Er2 N4 O22
• SMILES: [Er]1234([O]=N(=O)O1)([O]=C(C(C)(C)C)O[Co]([n]1cccc5ccccc15)(OC(C(C)(C)C)=[O]2)OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O[Er]123([O]=N(=O)O1)([O]=C(C(C)(C)C)O[Co]([n]1cccc5ccccc15)(OC(C(C)(C)C)=[O]2)OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O4
• Title of publication: Preparation, structure and preliminary magnetic studies of tri- and tetra-nuclear cobalt–lanthanide carboxylate complexes
• Authors of publication: Cui, Yong; Chen, Jiu-Tong; Long, De-Liang; Zheng, Fa-Kun; Cheng, Wen-Dan; Huang, Jin-Shun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 2955
• a: 10.9792 ± 0.0002 Å
• b: 12.4595 ± 0.0002 Å
• c: 13.7959 ± 0.0002 Å
• α: 85.5964 ± 0.0008°
• β: 84.564 ± 0.0007°
• γ: 73.05 ± 0.007°
• Cell volume: 1794.72 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No