Information card for entry 7021848

Structure parameters

• Formula: C32 H31 Eu Fe N6 O12 Zn
• Calculated formula: C32 H31 Eu Fe N6 O12 Zn
• SMILES: [Eu]123456([O]7[Zn]89([O]1c1c([O]3C)cccc1C=[N]8N=C(C)[c]13[Fe]8%10%11%12%13%14%15([c]%16([cH]%12[cH]8[cH]%10[cH]%11%16)C(C)=N[N]9=Cc8c7c([O]4C)ccc8)[cH]([cH]%13[cH]3%14)[cH]1%15)[O]=C(O2)C)([O]=N(O5)=O)[O]=N(=O)O6
• Title of publication: Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.
• Authors of publication: Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13436 - 13443
• a: 11.321 ± 0.005 Å
• b: 11.872 ± 0.005 Å
• c: 13.471 ± 0.005 Å
• α: 72.297 ± 0.005°
• β: 86.37 ± 0.005°
• γ: 89.106 ± 0.005°
• Cell volume: 1721.3 ± 1.2 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: 0.052
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No