Information card for entry 7225881

Structure parameters

• Formula: C14 H56 B N2 O75 Sm3 W12
• Calculated formula: C14 H56 B N2 O75 Sm3 W12
• Title of publication: Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies
• Authors of publication: Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6724
• a: 35.825 ± 0.002 Å
• b: 11.9982 ± 0.0007 Å
• c: 17.1452 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7369.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.082
• 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