Information card for entry 7029744

Structure parameters

• Formula: C34 H36 Fe Ho N7 Ni O13
• Calculated formula: C34 H36 Fe Ho N7 Ni O13
• SMILES: [Ho]123456([O](C)c7c8[O]1[Ni]19([O]2c2c(C=[N]9N=C(C)[c]9%10[Fe]%11%12%13%14%15%16%17([cH]9[cH]%11[cH]%12[cH]%10%13)[cH]9[cH]%16[cH]%17[c]%15([cH]%149)C(=N[N]1=Cc8ccc7)C)cccc2[O]3C)([O]=C(O4)C)[OH2])(ON(=[O]5)=O)ON(=[O]6)=O.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: 12.313 ± 0.004 Å
• b: 12.378 ± 0.004 Å
• c: 12.53 ± 0.004 Å
• α: 98.03 ± 0.006°
• β: 91.972 ± 0.006°
• γ: 100.182 ± 0.006°
• Cell volume: 1857.8 ± 1 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: 0.0378
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No