Information card for entry 7225880

Structure parameters

• Formula: C14 H58 B Ce3 N2 O77 W12
• Calculated formula: C14 H58 B Ce3 N2 O77 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: 16.9847 ± 0.0011 Å
• b: 24.2343 ± 0.0016 Å
• c: 36.286 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14935.8 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No