Information card for entry 7219297

Structure parameters

• Formula: C20 H48 N30 O98 Si2 W24 Zn5
• Calculated formula: C20 H38 N30 O98 Si2 W24 Zn5
• SMILES: c1[n]2[n](c[nH]1)[Zn]13([n]4c[nH]c[n]4[Zn]2([n]2n1c[n](c2)[Zn]1([O]=[W]2456O[W]789(O[W]%10%11%12(=O)O[W]%13%14(=O)(O[W]%15%16(O%10)(O[W]%10%17%18(=O)O[W]%19(O%11)(=O)(O7)[O]8%12[Si]78[O]2%14[W]2(O%13)(O[W](O%15)(O%10)(=O)([O]%16%177)O[W]7%10([O]%118[W](O%19)(O%18)(=O)(O7)O[W]%11(O9)(O4)(O%10)=[O]3)(O2)=O)(=O)O6)=O)O5)=O)([n]2cn3[n](c2)[Zn]2([n]4c[nH]c[n]4[Zn]3([n]3c[nH]c[n]23)([n]2c[nH]cn2)([OH2])[O]=[W]2345[O]67[Si]89[O]%10%11[W]%12%13%14(=O)O[W]%15%16%17(=O)O[W]%18%19(O%12)(O[W]%12%20%21(=O)O[W]%22%10(O%14)(=O)O[W]%11(O%13)(O[W]%10([O]8%16[W]8(O%15)(O[W](O%18)(O%12)(=O)([O]9%19%20)O[W]6(O8)(O[W]7(O%22)(O%21)(=O)O4)(O5)=O)(=O)O%10)(=[O]3)(O%17)O1)(O2)=O)=O)([OH2])[OH2])([n]1cnc[nH]1)[n]1cnc[nH]1)([n]1c[nH]cn1)([OH2])[OH2])([OH2])O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties
• Authors of publication: Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2176
• a: 13.088 ± 0.0005 Å
• b: 13.764 ± 0.0005 Å
• c: 15.963 ± 0.0005 Å
• α: 99.833 ± 0.005°
• β: 99.52 ± 0.005°
• γ: 101.798 ± 0.005°
• Cell volume: 2713.05 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No