Information card for entry 7032082

Structure parameters

• Formula: B20 O50 V6
• Calculated formula: B20 O50 V6
• SMILES: [B]123O[B]45OB([O-])O[B]67[O]4[B]4([O]3[B]3(OB(O2)[O-])[O]2[V]89([O]1[V]1%10([O]5[V]5%11([O]%12[B]%13%14[O]%15[B]%16(O[B]%17%18OB([O-])O[B]%19([O]8[V]82(=O)[O]%18[V]2%18([O]%16[V]%12([O]65)([O]2[B]2([O]4[B]([O]8%18)(O3)OB([O-])O2)O7)=O)=O)[O]%17[B]%15([O]2[B]([O]%10%11)(O%14)OB([O-])O[B]2([O]91)O%19)[O-])OB(O%13)[O-])=O)=O)=O)[O-]
• Title of publication: Layered V-B-O polyoxometalate nets linked by diethylenetriamine complexes with dangling amine groups.
• Authors of publication: Chen, Hong; Zhang, Yunfeng; Yu, Zheng-Bao; Sun, Junliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15283 - 15286
• a: 20.128 ± 0.0011 Å
• b: 13.3625 ± 0.0009 Å
• c: 21.559 ± 0.0013 Å
• α: 90°
• β: 97.256 ± 0.005°
• γ: 90°
• Cell volume: 5752.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1051
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.6998 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No