Information card for entry 7228691

Structure parameters

• Formula: C90 H136 Dy6 N6 O44
• Calculated formula: C90 H132 Dy6 N6 O42
• SMILES: C1C[N]23CC[OH][Dy]4563([OH]1)([O]1CC2(CO)C[O]4[Dy]23478([N](C(C[O]3[Dy]39%10%11%12([N](C(C[O]83)(CO)C[O]9[Dy]389%13%14([N](CC[OH]3)(CC[OH]8)C(CO)(C[O]%129)C[O]%13[Dy]389%12%13([N](C(C[O]8[Dy]8%15%16%171([N](C(C[O]%138)(CO)C[O]6%15)(CC[OH]%17)CC[OH]%16)OC(=O)c1ccccc1)(C[O]%143)CO)(CC[OH]9)CC[OH]%12)OC(=O)c1ccccc1)OC(=O)c1ccccc1)(CC[OH]%11)CC[OH]%10)OC(=O)c1ccccc1)(C[O]52)CO)(CC[OH]4)CC[OH]7)OC(=O)c1ccccc1)OC(=O)c1ccccc1
• Title of publication: A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties
• Authors of publication: li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 32.664 ± 0.007 Å
• b: 11.254 ± 0.002 Å
• c: 30.378 ± 0.006 Å
• α: 90°
• β: 111.76 ± 0.03°
• γ: 90°
• Cell volume: 10371 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No