Information card for entry 7207745

Structure parameters

• Formula: C21 H29 N6 O44 P W12
• Calculated formula: C21 H29 N6 O44 P W12
• SMILES: [W]1234([O]56[W]78(O1)(O[W]19%10([O]%11%12[W]%13%14(O1)(O[W]1%15%16([O]%17%18[W](O1)(O2)(O[W]1%17(O%15)(O[W]%11(O9)(O%13)(O[W]5(O3)(O7)(O1)=O)=O)=O)(O[W]12([O]3([W](O8)(O%10)(O1)(O[W]3(O%14)(O%16)(O2)=O)=O)=P6%12%18)(O4)=O)=O)=O)=O)=O)=O)=O.[nH]1c[nH+]c2c1cccc2.[nH]1c[nH+]c2c1cccc2.[nH]1c[nH+]c2c1cccc2.O.O.O.O
• Title of publication: pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions
• Authors of publication: Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3183
• a: 14.232 ± 0.0015 Å
• b: 14.6531 ± 0.0016 Å
• c: 15.1359 ± 0.0018 Å
• α: 77.195 ± 0.002°
• β: 67.084 ± 0.001°
• γ: 65.102 ± 0.001°
• Cell volume: 2630.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No