Information card for entry 7034641

Structure parameters

• Formula: C18 H31 N3 Nd2 O57 Si W12
• Calculated formula: C18 H31 N3 Nd2 O57 Si W12
• Title of publication: Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer.
• Authors of publication: Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Alipour, Mahboubeh; Bauzá, Antonio; Mague, Joel T.; Korabik, Maria; Frontera, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8824 - 8832
• a: 12.606 ± 0.0019 Å
• b: 12.9593 ± 0.0019 Å
• c: 18.631 ± 0.003 Å
• α: 82.317 ± 0.002°
• β: 88.815 ± 0.002°
• γ: 71.173 ± 0.002°
• Cell volume: 2854.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No