Information card for entry 7105399

Structure parameters

• Formula: C56 H40 Ho2 Na2 O16
• Calculated formula: C56 H40 Ho2 Na2 O16
• SMILES: C1(=[O][Ho]2345([O]=C(c6ccccc6)O[Ho]67(O1)(OC(=[O]7)c1ccccc1)([O]=C(O6)c1ccccc1)([O]=C(c1ccccc1)O2)[O]=C(c1ccccc1)O3)(OC(=[O]4)c1ccccc1)[O]=C(c1ccccc1)O5)c1ccccc1.[Na+].[Na+]
• Title of publication: [LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand
• Authors of publication: Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2551 - 2553
• a: 16.1249 ± 0.0003 Å
• b: 16.1249 ± 0.0003 Å
• c: 19.506 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5071.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No