Information card for entry 7220320

Structure parameters

• Formula: C16 H26 N4 O6 W
• Calculated formula: C16 H26 N4 O6 W
• SMILES: [W]12(Oc3c(O1)cccc3)(Oc1c(O2)cccc1)(=O)=O.NCC[NH3+].[NH3+]CCN
• Title of publication: Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−
• Authors of publication: Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 4592
• a: 16.5081 ± 0.0007 Å
• b: 23.4259 ± 0.0008 Å
• c: 10.2617 ± 0.0003 Å
• α: 90°
• β: 92.433 ± 0.003°
• γ: 90°
• Cell volume: 3964.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No