Information card for entry 7029747

Structure parameters

• Formula: C34 H36 Fe N7 Ni O13 Y
• Calculated formula: C34 H36 Fe N7 Ni O13 Y
• SMILES: [cH]12[cH]3[Fe]456789%101[c]2([cH]7[cH]35)C(=N[N]1[Ni]235([O]7[Y]%11%12%13([O]=N(=O)O%11)([O]=C(O5)C)([O](c5c([O]2%12)c(ccc5)C=[N]3N=C([c]24[cH]8[cH]6[cH]%10[cH]92)C)C)([O](c2c7c(ccc2)C=1)C)ON(=[O]%13)=O)[OH2])C.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: 12.238 ± 0.005 Å
• b: 12.345 ± 0.005 Å
• c: 12.486 ± 0.005 Å
• α: 98.068 ± 0.005°
• β: 92.083 ± 0.005°
• γ: 99.95 ± 0.005°
• Cell volume: 1836 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No