Information card for entry 7019513

Structure parameters

• Formula: C14 H33 N21 O44 V10 Zn3
• Calculated formula: C14 H33 N21 O44 V10 Zn3
• SMILES: [Zn]12([OH2])([n]3c[nH]c[n]3[Zn]34([n]5[n]([Zn]([n]6[n]3c[nH]c6)([OH2])([OH2])([n]3[n]4c[nH]c3)[OH2])c[nH]c5)([n]3[n]2c[nH]c3)[n]2[n]1c[nH]c2)([OH2])[OH2].[V]12345[O]6[V]789([O]%10[V]%11%12%13%14[O]%15%1639[V]39([O]1[V]1%17([O][V]%18%19([O][V]%206%10([O]5%13%17%19[V](O%18)(O1)(O4)(O%20)=O)=O)(O%12)=O)([O]%113)=O)(O[V]%15(O2)(O[V]%16(O7)(O9)(O%14)=O)(O8)=O)=O)=O.n1[nH]cnc1.O.O.O.O.O.O.O.O.O.O
• Title of publication: Three novel organic-inorganic complexes based on decavanadate [V(10)O(28)](6-) units: special water layers, open 3D frameworks and yellow/blue luminescences.
• Authors of publication: Xu, Wentao; Jiang, Feilong; Zhou, Youfu; Xiong, Kecai; Chen, Lian; Yang, Ming; Feng, Rui; Hong, Maochun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7737 - 7745
• a: 12.873 ± 0.005 Å
• b: 14.831 ± 0.006 Å
• c: 16.274 ± 0.007 Å
• α: 86.834 ± 0.013°
• β: 72.509 ± 0.008°
• γ: 78.682 ± 0.012°
• Cell volume: 2906 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No