Information card for entry 4335748

Structure parameters

• Formula: C40 H44 N2 O10 W
• Calculated formula: C40 H44 N2 O10 W
• SMILES: c12c(ccc3c1C(=O)c1ccccc1C3=O)O[W]1(O2)(=O)(Oc2c(ccc3c2C(=O)c2ccccc2C3=O)O1)=O.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W)
• Authors of publication: B. Zhang; S. Z. Du; X. M. Lu; G. Wang; J. Fen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9470 - 9478
• a: 27.215 ± 0.003 Å
• b: 10.211 ± 0.001 Å
• c: 13.5221 ± 0.0012 Å
• α: 90°
• β: 93.233 ± 0.001°
• γ: 90°
• Cell volume: 3751.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No