Information card for entry 7103433

Structure parameters

• Formula: C8 H6 Co N5 O2
• Calculated formula: C8 H6 Co N5 O2
• Title of publication: Isomorphous CoII and MnII materials of tetrazolate-5-carboxylate with an unprecedented self-penetrating net and distinct magnetic behaviours.
• Authors of publication: Jia, Qin-Xiang; Wang, Yan-Qin; Yue, Qi; Wang, Qing-Lun; Gao, En-Qing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 40
• Pages of publication: 4894 - 4896
• a: 11.604 ± 0.009 Å
• b: 9.302 ± 0.007 Å
• c: 9.161 ± 0.007 Å
• α: 90°
• β: 98.626 ± 0.013°
• γ: 90°
• Cell volume: 977.6 ± 1.3 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: 0.0611
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No