Information card for entry 7202300

Structure parameters

• Formula: C6 H9 Co N4 O4.5
• Calculated formula: C5.94 H8.94 Co N3.96 O4.47
• Title of publication: 3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes
• Authors of publication: Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1770
• a: 9.8941 ± 0.0007 Å
• b: 9.8941 ± 0.0007 Å
• c: 9.8941 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.57 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No