Information card for entry 7044986

Structure parameters

• Formula: C98 H106 Gd2 N4 O26
• Calculated formula: C98 H106 Gd2 N4 O26
• SMILES: O1C(=CC(=[O][Gd]23451([O]1c6c(C[OH]2)cc(cc6C[OH][Gd]2671(OC(=CC(=[O]2)c1c(OC)cccc1)c1c(cccc1)OC)([O]5c1c(C[OH]6)cc(cc1C[OH]4)C)[O]=C(c1c(OC)cccc1)C=C(O7)c1c(cccc1)OC)C)[O]=C(c1c(OC)cccc1)C=C(O3)c1c(OC)cccc1)c1c(cccc1)OC)c1ccccc1OC.C(=O)N(C)C.N(C=O)(C)C.C(=O)N(C)C.N(C=O)(C)C
• 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: 13.8683 ± 0.0006 Å
• b: 13.9391 ± 0.0006 Å
• c: 15.1576 ± 0.0006 Å
• α: 64.652 ± 0.002°
• β: 64.498 ± 0.002°
• γ: 85.951 ± 0.002°
• Cell volume: 2366.7 ± 0.18 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: 0.0206
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No