Information card for entry 4337455

Structure parameters

• Formula: C63 H93 Co O13 P3 Tb
• Calculated formula: C63 H93 Co O13 P3 Tb
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345[P](OCC)(OCC)O[Tb]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: 10.9869 ± 0.0012 Å
• b: 16.0612 ± 0.0017 Å
• c: 19.974 ± 0.002 Å
• α: 99.463 ± 0.001°
• β: 101.538 ± 0.002°
• γ: 102.099 ± 0.001°
• Cell volume: 3297.5 ± 0.6 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: 0.0583
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No