Information card for entry 7202544

Structure parameters

• Common name: ((GD(iii)(btp)(NO3)2(H2O)3(MeOH))2btp MeOH NO3) (btp=2,6- bis(N1-1,2,4-triazolyl)pyridine)
• Formula: C29 H35 Cl Gd N23 O15
• Calculated formula: C29 H35 Cl Gd N23 O15
• SMILES: [Gd]12([O]=N(=O)O1)(ON(=[O]2)=O)([OH2])([OH2])([OH2])([OH]C)[n]1cnn(c1)c1nc(n2ncnc2)ccc1.n1cnn(c1)c1nc(n2ncnc2)ccc1.n1cnn(c1)c1nc(n2ncnc2)ccc1.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions
• Authors of publication: Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 30
• a: 10.8325 ± 0.0006 Å
• b: 15.4222 ± 0.0006 Å
• c: 15.6315 ± 0.0007 Å
• α: 109.225 ± 0.003°
• β: 105.122 ± 0.003°
• γ: 105.674 ± 0.003°
• Cell volume: 2191.3 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No