Information card for entry 7044985

Structure parameters

• Formula: C98 H106 Ho2 N4 O26
• Calculated formula: C98 H106 Ho2 N4 O26
• SMILES: COc1ccccc1C1=CC(=[O][Ho]2345(O1)([OH]Cc1c6[O]4[Ho]478([O]=C(c9c(cccc9)OC)C=C(O4)c4ccccc4OC)(OCc6cc(c1)C)([O]3c1c(C[OH]2)cc(cc1C[O]7)C)OC(=CC(c1c(cccc1)OC)=[O]8)c1ccccc1OC)[O]=C(c1c(cccc1)OC)C=C(O5)c1ccccc1OC)c1ccccc1OC.N(C)(C)C=O.O=CN(C)C.N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Effect of coordination geometry on the magnetic properties of a series of Ln₂ and Ln₄ hydroxo clusters.
• Authors of publication: Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1726 - 1738
• a: 13.8538 ± 0.0014 Å
• b: 13.8879 ± 0.0014 Å
• c: 15.0749 ± 0.0015 Å
• α: 64.648 ± 0.001°
• β: 64.947 ± 0.001°
• γ: 85.963 ± 0.002°
• Cell volume: 2352.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No