Information card for entry 2227279

Structure parameters

• Chemical name: bis[μ-1,2-bis(1,2,4-triazol-4-yl)ethane- κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[dinitritozinc(II)]
• Formula: C12 H16 N16 O8 Zn2
• Calculated formula: C12 H16 N16 O8 Zn2
• SMILES: C1n2c[n](nc2)[Zn]2(ON=[O]2)([n]2cn(CCn3c[n](nc3)[Zn]3([n]4cn(C1)cn4)(ON=[O]3)ON=O)cn2)ON=O
• Title of publication: A dimeric zinc(II) complex: bis[μ-1,2-bis(1,2,4-triazol-4-yl)ethane-κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[dinitritozinc(II)]
• Authors of publication: Zhang, Rongxian; Chen, Qiuyun; Gao, Jing; Wu, Xiangyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1208
• a: 20.491 ± 0.004 Å
• b: 6.7087 ± 0.0013 Å
• c: 17.289 ± 0.004 Å
• α: 90°
• β: 97.125 ± 0.005°
• γ: 90°
• Cell volume: 2358.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes