Information card for entry 7018013

Structure parameters

• Common name: 1
• Formula: C88 H101 Cl7 Dy4 N16 O28.5
• Calculated formula: C88 H101 Cl7 Dy4 N16 O28.5
• SMILES: [Dy]123456([N](=C(C(=[N]1N=C1[O]3[Dy]3789%10([N](=C(C(=[N]3N=C3[O]%10[Dy]%10%11%12%13([N](=C(C(=[N]%10N=C%10[O]%11[Dy]%11%14%15([N](=C(C(=[N]%11N=C(O%15)c%11c(O)c(OC)ccc%11)C)C)N=C([O]6%14)c6c([O]58)c(OC)ccc6)([O]4c4c%10cccc4OC)([O]%13c4c3cccc4OC)[OH]C)C)C)N=C(O%12)c3c(O)c(OC)ccc3)([O]7c3c1cccc3OC)[OH]C)C)C)N=C(O9)c1c(O)c(OC)ccc1)[OH]C)C)C)N=C(O2)c1c(O)c(OC)ccc1)[OH]C.ClCCl.ClCCl.ClCCl.ClCCl.OC
• Title of publication: A novel windmill-type Dy(III) [2 × 2] grid exhibiting slow magnetic relaxation.
• Authors of publication: Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 351 - 353
• a: 17.4258 ± 0.0008 Å
• b: 22.2181 ± 0.001 Å
• c: 27.5838 ± 0.0013 Å
• α: 84.586 ± 0.001°
• β: 77.438 ± 0.001°
• γ: 88.357 ± 0.001°
• Cell volume: 10377 ± 0.8 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 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: 0.1033
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No