Information card for entry 1540410

Structure parameters

• Formula: C142 H120 Gd7 N11 O24
• Calculated formula: C142 H120 Gd7 N11 O24
• SMILES: [Gd]123456[O]78[Gd]9%10%11%12%13(Oc%14c(cccc%14)C=[N]%12c%12c([O]4%10)cccc%12)Oc4c(C=[N]%13c%10c([O]9[Gd]9%127([O]1[Gd]17%13%14%15([O]%16[Gd]%17%18%19%20%21[O]%22%23[Gd]%24%25([O]1c1c([N]%15=Cc%15c%16cccc%15)cccc1)([O]7%17)([O]%18([Gd]17%15%16%22([O]%24c%17c([N]%16=Cc%16c(O7)cccc%16)cccc%17)[O]%19c7c([N]%15=Cc%15c(O1)cccc%15)cccc7)c1c([N]%21=Cc7c(O%20)cccc7)cccc1)([O]=C(C)C)Oc1c(C=[N]%25c7c%23cccc7)cccc1)[O]2c1c(C=[N]%14c2c([O]9%13)cccc2)cccc1)(Oc1c(C=[N]%12c2ccccc82)cccc1)([O]=C(C)C)[O]5%11c1ccccc1[N]6=Cc1c(O3)cccc1)cccc%10)cccc4.[NH+](CC)(CC)CC
• Title of publication: New structural topologies in 4f-metal cluster chemistry from vertex-sharing butterfly units: {LnIII7} complexes exhibiting slow magnetization relaxation and ligand-centred emissions
• Authors of publication: Mazarakioti, Eleni C.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 112
• Pages of publication: 92534 - 92538
• a: 15.5132 ± 0.0016 Å
• b: 20.762 ± 0.002 Å
• c: 24.831 ± 0.003 Å
• α: 106.288 ± 0.004°
• β: 103.085 ± 0.005°
• γ: 105.827 ± 0.004°
• Cell volume: 6977.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No