Information card for entry 7208719

Structure parameters

• Formula: C18 H32 N4 O6 W
• Calculated formula: C18 H30 N4 O6 W
• SMILES: [W]12(Oc3c(O1)cccc3)(Oc1c(O2)cccc1)(=O)=O.NCC([NH3+])C.[NH3+]CC(N)C
• Title of publication: Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues
• Authors of publication: Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6618
• a: 13.513 ± 0.001 Å
• b: 15.5802 ± 0.0011 Å
• c: 20.9805 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4417.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No