Information card for entry 7212595

Structure parameters

• Formula: C72 H66 Eu2 Fe4 N30 O20
• Calculated formula: C72 H38 Eu2 Fe4 N30 O20
• SMILES: c1[n]2[Eu]3([N]#C[Fe]4(C#N)(C#N)(C#N)[n]5cccc6c5c5c(cc6)ccc[n]45)([N]#C[Fe]4(C#N)(C#N)([n]5cccc6ccc7ccc[n]4c7c56)C#N)(ON(=[O]3)=O)([OH2])([OH2])([OH2])[n]3ccc[n]4c3c2[n](cc1)[Eu]14([N]#C[Fe]2(C#N)(C#N)(C#N)[n]3cccc4c3c3c(cc4)ccc[n]23)([N]#C[Fe]2(C#N)(C#N)(C#N)[n]3cccc4c3c3c(cc4)ccc[n]23)(ON(=[O]1)=O)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: [Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)
• Authors of publication: Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2454
• a: 10.14 ± 0.0006 Å
• b: 15.063 ± 0.0015 Å
• c: 16.577 ± 0.0018 Å
• α: 94.96 ± 0.008°
• β: 104.473 ± 0.008°
• γ: 92.006 ± 0.007°
• Cell volume: 2438.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No