Information card for entry 7016114

Structure parameters

• Formula: C12 H16 Co0.5 N7 O5
• Calculated formula: C12 H16 Co0.5 N7 O5
• Title of publication: Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.
• Authors of publication: Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7993 - 8002
• a: 9.0519 ± 0.001 Å
• b: 9.4026 ± 0.0009 Å
• c: 10.599 ± 0.0012 Å
• α: 81.697 ± 0.004°
• β: 75.627 ± 0.003°
• γ: 62.257 ± 0.008°
• Cell volume: 772.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No