Information card for entry 7218333

Structure parameters

• Formula: C82 H54 Cl0 F48 Gd4 N12 Ni2 O29
• Calculated formula: C82 H54 F48 Gd4 N12 Ni2 O29
• SMILES: [Gd]12345678[O]9[Gd]%10%11%12%13([O]1[N]1[Ni]%14%15([n]%16ccccc%16C=[N]%14[O]2[Gd]2%14%16%17([O]3[N]3[Ni]%18%19([n]%20ccccc%20C=3)([n]3ccccc3C=[N]%189)[n]3ccccc3C=[N]%19[O]4[Gd]34(OC(C(F)(F)F)=CC(=[O]3)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)([O]6C(=[O]7%10)C)([O]=C(C)[O]8%16)[OH]C)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O%14)OC(C(F)(F)F)=CC(=[O]%17)C(F)(F)F)([n]2ccccc2C=1)[n]1ccccc1C=[N]%15O5)(OC(=CC(=[O]%13)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]%12)C(F)(F)F)OC(=CC(=[O]%11)C(F)(F)F)C(F)(F)F.CO.O
• Title of publication: Hexanuclear [Ni2Ln4] clusters exhibiting enhanced magnetocaloric effect and slow magnetic relaxation
• Authors of publication: Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 16.176 ± 0.003 Å
• b: 25.626 ± 0.005 Å
• c: 28.494 ± 0.006 Å
• α: 90°
• β: 103.74 ± 0.03°
• γ: 90°
• Cell volume: 11474 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No