Information card for entry 7029743

Structure parameters

• Formula: C34 H36 Fe N7 Ni O13 Tb
• Calculated formula: C34 H36 Fe N7 Ni O13 Tb
• SMILES: [Tb]123456([O]7[Ni]89([OH2])([O]3c3c(cccc3[O]2C)C=[N]8N=C([c]23[cH]8[Fe]%10%11%12%13%14%152([cH]2[c]%10(C(C)=N[N]9=Cc9c7c([O]6C)ccc9)[cH]%11[cH]%12[cH]%132)[cH]3[cH]%14[cH]8%15)C)[O]=C(O1)C)([O]=N(=O)O5)ON(=[O]4)=O.C(#N)C
• Title of publication: Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.
• Authors of publication: Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8921 - 8932
• a: 12.293 ± 0.005 Å
• b: 12.354 ± 0.005 Å
• c: 12.498 ± 0.005 Å
• α: 98.128 ± 0.005°
• β: 91.977 ± 0.005°
• γ: 99.904 ± 0.005°
• Cell volume: 1847.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No