Information card for entry 4337454

Structure parameters

• Formula: C63 H93 Co Dy O13 P3
• Calculated formula: C63 H93 Co Dy O13 P3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345[P](OCC)(OCC)O[Dy]234(O[P]1(OCC)OCC)(O[P]6(OCC)OCC)[O](C)c1c5cc(cc1Cc1cc(cc(c1O2)Cc1cc(cc(c1[O]3C)Cc1cc(cc(c1O4)C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Calix[4]arene-supported mononuclear lanthanide single-molecule magnet.
• Authors of publication: Gao, Feng; Cui, Long; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 562 - 567
• a: 10.9895 ± 0.001 Å
• b: 16.0209 ± 0.0015 Å
• c: 19.9307 ± 0.0018 Å
• α: 99.443 ± 0.001°
• β: 101.626 ± 0.001°
• γ: 102.145 ± 0.001°
• Cell volume: 3281.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No