Information card for entry 7208720

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.[NH3+]CCCN.[NH3+]CCCN
• 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: 7.0702 ± 0.0002 Å
• b: 23.5538 ± 0.0007 Å
• c: 13.0177 ± 0.0004 Å
• α: 90°
• β: 98.18 ± 0.001°
• γ: 90°
• Cell volume: 2145.78 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No