Information card for entry 7029742

Structure parameters

• Formula: C34 H36 Dy Fe N7 Ni O13
• Calculated formula: C34 H36 Dy Fe N7 Ni O13
• SMILES: [Dy]123456([O]7[Ni]89([O]1c1c(C=[N]8N=C([c]8%10[Fe]%11%12%13%14%15%16%17([cH]8[cH]%11[cH]%12[cH]%10%13)[c]8([cH]%14[cH]%15[cH]%16[cH]%178)C(=N[N]9=Cc8cccc([O]4C)c78)C)C)cccc1[O]2C)([O]=C(O5)C)[OH2])(ON(=[O]6)=O)[O]=N(=O)O3.N#CC
• 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: 12.208 ± 0.005 Å
• b: 12.313 ± 0.005 Å
• c: 12.459 ± 0.005 Å
• α: 97.914 ± 0.005°
• β: 92.016 ± 0.005°
• γ: 99.686 ± 0.005°
• Cell volume: 1825.3 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No