Information card for entry 7042542

Structure parameters

• Formula: C74 H150 N2 O23 V6
• Calculated formula: C74 H150 N2 O23 V6
• SMILES: C1[O]2[V]345([O]6789[V]%10%11%12(=O)O[V]%1326(=O)O[V]29(O3)(=O)[O]3CC(C[O]%11[V]73(=O)(O4)O[V]38(=O)(O%10)[O]%13CC1(C[O]53)C(=O)OCCCCCCCCCCCCCCCC)(C[O]%122)C(=O)OCCCCCCCCCCCCCCCC)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.
• Authors of publication: Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4602 - 4608
• a: 11.4081 ± 0.0007 Å
• b: 11.9363 ± 0.0006 Å
• c: 18.8822 ± 0.0011 Å
• α: 101.329 ± 0.004°
• β: 96.637 ± 0.005°
• γ: 116.297 ± 0.005°
• Cell volume: 2199.3 ± 0.3 ų
• Cell temperature: 105.6 K
• Ambient diffraction temperature: 105.6 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No