Information card for entry 7122761

Structure parameters

• Formula: C25 N10 Na1.7 Ni5.3 O82 Sb2 W18
• Calculated formula: C25 N10 Na1.7 Ni5.3 O82 Sb2 W18
• SMILES: [W]1234(=O)O[W]567([O]84[Sb]4[O]9%10[W]%11%12(O3)(O[W]3%10([O]%10[Ni]%13%14([O]%15[W]9(O%11)(O[W]9%11%16([O]%174[W](O2)(O%12)(O[W]2%17(O[W]48(O1)([O]1[Ni]8%12([O]2[Ni]2%17([O]%16[Ni]%16%15(=C%15NC=CN%15)[O]%17[W]%15%17%18(O[W]%19%20([O]%122)(O[W]2%12%21([O]8[Na]8%221([O]1[W]%23%24(=O)([O]28)O[W]28(=O)(O%12)O[W]%12%25%26(O[W](O2)(O%19)(O%15)([O]%17%20[Sb]([O]%21%238)[O]2%12[W](O%25)(O%24)(=O)(O[W]2(O%26)(=O)(O%18)[O]%13%16)[O]%14[Ni]%101([O]5%22)n1cncc1)=[O][Na]([OH2])[OH2])=O)[O]64)=O)=O)=O)[OH2])n1cncc1)=O)(=O)O%11)(O9)=O)=O)(=O)O3)[OH2])(O7)=O)=O)=O.O.O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.O.O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Transition Metal Substituted Sandwich-Type Polyoxometalates with Strong Metal–C (imidazole) Bond as Anticancer Agents
• Authors of publication: Zhao, Hongxia; Tao, Li; Zhang, Fengmin; Zhang, Ying; Liu, Yanqing; Xu, Hongjie; Diao, Guowang; Ni, Lubin
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 22.4271 ± 0.0014 Å
• b: 22.3391 ± 0.0014 Å
• c: 25.7151 ± 0.0015 Å
• α: 90°
• β: 114.014 ± 0.002°
• γ: 90°
• Cell volume: 11768.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No