Information card for entry 7029746

Structure parameters

• Formula: C34 H36 Er Fe N7 Ni O13
• Calculated formula: C34 H36 Er Fe N7 Ni O13
• SMILES: [Er]123456([O]7[Ni]89([O]1c1c(C=[N]8N=C([c]8%10[cH]%11[Fe]%12%13%14%15%16%178([cH]%10[cH]%12[cH]%11%13)[c]8([cH]%14[cH]%15[cH]%16[cH]%178)C(=N[N]9=Cc8cccc([O]5C)c78)C)C)cccc1[O]2C)([O]=C(O6)C)[OH2])(ON(=[O]3)=O)ON(=O)=[O]4.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: 12.262 ± 0.005 Å
• b: 12.365 ± 0.005 Å
• c: 12.503 ± 0.005 Å
• α: 98.072 ± 0.005°
• β: 92.025 ± 0.005°
• γ: 100.116 ± 0.005°
• Cell volume: 1844.2 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No