Information card for entry 1556561

Structure parameters

• Formula: C44 H44 B4 Cl6 Gd2 N24 O4
• Calculated formula: C44 H44 B4 Cl6 Gd2 N24 O4
• SMILES: [BH]12n3ccc[n]3[Gd]345([n]6cccn16)([n]1n2ccc1)([n]1n([BH](n2[n]3ccc2)n2[n]4ccc2)ccc1)Oc1c(Cl)c2c(c(c1O5)Cl)O[Gd]1345([n]6cccn6[BH](n6ccc[n]16)n1[n]3ccc1)([n]1n([BH](n3[n]4ccc3)n3ccc[n]53)ccc1)O2.C(Cl)Cl.C(Cl)Cl
• Title of publication: Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms
• Authors of publication: Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 7
• a: 13.9697 ± 0.0007 Å
• b: 15.0061 ± 0.0007 Å
• c: 14.9113 ± 0.0006 Å
• α: 90°
• β: 107.843 ± 0.0013°
• γ: 90°
• Cell volume: 2975.5 ± 0.2 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No