Information card for entry 7021843

Structure parameters

• Formula: C32 H31 Dy Fe N6 O12 Zn
• Calculated formula: C32 H31 Dy Fe N6 O12 Zn
• SMILES: [Dy]123456([O]7[Zn]89([O]1c1c([O]2C)cccc1C=[N]8N=C(C)[c]12[cH]8[Fe]%10%11%12%13%14%151([c]1(C(=N[N]9=Cc9c7c([O]3C)ccc9)C)[cH]%10[cH]%12[cH]%13[cH]%111)[cH]2[cH]%15[cH]8%14)[O]=C(O6)C)(ON(=[O]5)=O)ON(=[O]4)=O
• 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: 11.282 ± 0.005 Å
• b: 11.873 ± 0.005 Å
• c: 13.438 ± 0.005 Å
• α: 72.211 ± 0.005°
• β: 86.53 ± 0.005°
• γ: 88.731 ± 0.005°
• Cell volume: 1710.8 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No