Information card for entry 7029745

Structure parameters

• Formula: C34 H36 Fe Gd N7 Ni O13
• Calculated formula: C34 H36 Fe Gd N7 Ni O13
• SMILES: [Gd]123456([O]7[Ni]89([O]3c3c([O]4C)cccc3C=[N]8N=C([c]34[cH]8[Fe]%10%11%12%13%14%153([c]3([cH]%15[cH]%14[cH]%10[cH]%113)C(=N[N]9=Cc3c7c([O]2C)ccc3)C)[cH]8[cH]%12[cH]4%13)C)([OH2])[O]=C(O1)C)([O]=N(=O)O6)ON(=[O]5)=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: 12.377 ± 0.005 Å
• b: 12.39 ± 0.005 Å
• c: 12.485 ± 0.005 Å
• α: 91.923 ± 0.005°
• β: 98.147 ± 0.005°
• γ: 100.163 ± 0.005°
• Cell volume: 1862.2 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No